data_27920 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27920 _Entry.Title ; 1H, 15N, 13C backbone resonance assignments of the P146A variant of beta-phosphoglucomutase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-05-21 _Entry.Accession_date 2019-05-21 _Entry.Last_release_date 2019-05-21 _Entry.Original_release_date 2019-05-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _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. . . 27920 2 F Cruz-Navarrete . Aaron . . 27920 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' . 27920 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27920 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 612 27920 '15N chemical shifts' 194 27920 '1H chemical shifts' 194 27920 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 3 . . 2020-03-19 2019-05-21 update author 'update entry citation' 27920 2 . . 2019-09-03 2019-05-21 update BMRB 'update entry citation' 27920 1 . . 2019-08-14 2019-05-21 original author 'original release' 27920 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 7235 'Backbone NMR assignments of wild-type beta-phosphoglucomutase' 27920 PDB 2WHE 'X-ray crystal structure of wild-type beta-phosphoglucomutase' 27920 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27920 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31396843 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 15N and 13C backbone resonance assignments of the P146A variant of beta-phosphoglucomutase from Lactococcus lactis in its substrate-free form ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 349 _Citation.Page_last 356 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F. Cruz-Navarrete . Aaron . . 27920 1 2 Nicola Baxter . J. . . 27920 1 3 Henry Wood . P. . . 27920 1 4 Andrea Hounslow . M. . . 27920 1 5 Jonathan Waltho . P. . . 27920 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'backbone resonance assignment' 27920 1 'general acid-base catalysis' 27920 1 'phosphoryl transfer enzyme' 27920 1 'transverse relaxation optimised spectroscopy' 27920 1 'triple-labelled protein' 27920 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27920 _Assembly.ID 1 _Assembly.Name 'bPGM-P146A-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 24207.91 _Assembly.Enzyme_commission_number 'EC 5.4.2.6' _Assembly.Details 'This is a binary complex involving beta-phosphoglucomutase (P146A) and a catalytic Mg ion' _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-P146A 1 $beta-phosphoglucomutase A . yes native no no . enzyme . 27920 1 2 Mg 2 $entity_MG A . no native no no . 'catalytic Mg ion' . 27920 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 beta-phosphoglucomutase' . 27920 1 yes PDB 2whe . . X-ray 1.55 'X-ray crystal structure of wild-type beta-phosphoglucomutase' . 27920 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' 27920 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_beta-phosphoglucomutase _Entity.Sf_category entity _Entity.Sf_framecode beta-phosphoglucomutase _Entity.Entry_ID 27920 _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 VAASKAAPDIFIAAAHAVGV 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 P146A _Entity.EC_number 'EC 5.4.2.6' _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24183.61 _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' 27920 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 . 27920 1 2 . PHE . 27920 1 3 . LYS . 27920 1 4 . ALA . 27920 1 5 . VAL . 27920 1 6 . LEU . 27920 1 7 . PHE . 27920 1 8 . ASP . 27920 1 9 . LEU . 27920 1 10 . ASN . 27920 1 11 . GLY . 27920 1 12 . VAL . 27920 1 13 . ILE . 27920 1 14 . THR . 27920 1 15 . ASP . 27920 1 16 . THR . 27920 1 17 . ALA . 27920 1 18 . GLU . 27920 1 19 . TYR . 27920 1 20 . HIS . 27920 1 21 . PHE . 27920 1 22 . ARG . 27920 1 23 . ALA . 27920 1 24 . TRP . 27920 1 25 . LYS . 27920 1 26 . ALA . 27920 1 27 . LEU . 27920 1 28 . ALA . 27920 1 29 . GLU . 27920 1 30 . GLU . 27920 1 31 . ILE . 27920 1 32 . GLY . 27920 1 33 . ILE . 27920 1 34 . ASN . 27920 1 35 . GLY . 27920 1 36 . VAL . 27920 1 37 . ASP . 27920 1 38 . ARG . 27920 1 39 . GLN . 27920 1 40 . PHE . 27920 1 41 . ASN . 27920 1 42 . GLU . 27920 1 43 . GLN . 27920 1 44 . LEU . 27920 1 45 . LYS . 27920 1 46 . GLY . 27920 1 47 . VAL . 27920 1 48 . SER . 27920 1 49 . ARG . 27920 1 50 . GLU . 27920 1 51 . ASP . 27920 1 52 . SER . 27920 1 53 . LEU . 27920 1 54 . GLN . 27920 1 55 . LYS . 27920 1 56 . ILE . 27920 1 57 . LEU . 27920 1 58 . ASP . 27920 1 59 . LEU . 27920 1 60 . ALA . 27920 1 61 . ASP . 27920 1 62 . LYS . 27920 1 63 . LYS . 27920 1 64 . VAL . 27920 1 65 . SER . 27920 1 66 . ALA . 27920 1 67 . GLU . 27920 1 68 . GLU . 27920 1 69 . PHE . 27920 1 70 . LYS . 27920 1 71 . GLU . 27920 1 72 . LEU . 27920 1 73 . ALA . 27920 1 74 . LYS . 27920 1 75 . ARG . 27920 1 76 . LYS . 27920 1 77 . ASN . 27920 1 78 . ASP . 27920 1 79 . ASN . 27920 1 80 . TYR . 27920 1 81 . VAL . 27920 1 82 . LYS . 27920 1 83 . MET . 27920 1 84 . ILE . 27920 1 85 . GLN . 27920 1 86 . ASP . 27920 1 87 . VAL . 27920 1 88 . SER . 27920 1 89 . PRO . 27920 1 90 . ALA . 27920 1 91 . ASP . 27920 1 92 . VAL . 27920 1 93 . TYR . 27920 1 94 . PRO . 27920 1 95 . GLY . 27920 1 96 . ILE . 27920 1 97 . LEU . 27920 1 98 . GLN . 27920 1 99 . LEU . 27920 1 100 . LEU . 27920 1 101 . LYS . 27920 1 102 . ASP . 27920 1 103 . LEU . 27920 1 104 . ARG . 27920 1 105 . SER . 27920 1 106 . ASN . 27920 1 107 . LYS . 27920 1 108 . ILE . 27920 1 109 . LYS . 27920 1 110 . ILE . 27920 1 111 . ALA . 27920 1 112 . LEU . 27920 1 113 . ALA . 27920 1 114 . SER . 27920 1 115 . ALA . 27920 1 116 . SER . 27920 1 117 . LYS . 27920 1 118 . ASN . 27920 1 119 . GLY . 27920 1 120 . PRO . 27920 1 121 . PHE . 27920 1 122 . LEU . 27920 1 123 . LEU . 27920 1 124 . GLU . 27920 1 125 . ARG . 27920 1 126 . MET . 27920 1 127 . ASN . 27920 1 128 . LEU . 27920 1 129 . THR . 27920 1 130 . GLY . 27920 1 131 . TYR . 27920 1 132 . PHE . 27920 1 133 . ASP . 27920 1 134 . ALA . 27920 1 135 . ILE . 27920 1 136 . ALA . 27920 1 137 . ASP . 27920 1 138 . PRO . 27920 1 139 . ALA . 27920 1 140 . GLU . 27920 1 141 . VAL . 27920 1 142 . ALA . 27920 1 143 . ALA . 27920 1 144 . SER . 27920 1 145 . LYS . 27920 1 146 . ALA . 27920 1 147 . ALA . 27920 1 148 . PRO . 27920 1 149 . ASP . 27920 1 150 . ILE . 27920 1 151 . PHE . 27920 1 152 . ILE . 27920 1 153 . ALA . 27920 1 154 . ALA . 27920 1 155 . ALA . 27920 1 156 . HIS . 27920 1 157 . ALA . 27920 1 158 . VAL . 27920 1 159 . GLY . 27920 1 160 . VAL . 27920 1 161 . ALA . 27920 1 162 . PRO . 27920 1 163 . SER . 27920 1 164 . GLU . 27920 1 165 . SER . 27920 1 166 . ILE . 27920 1 167 . GLY . 27920 1 168 . LEU . 27920 1 169 . GLU . 27920 1 170 . ASP . 27920 1 171 . SER . 27920 1 172 . GLN . 27920 1 173 . ALA . 27920 1 174 . GLY . 27920 1 175 . ILE . 27920 1 176 . GLN . 27920 1 177 . ALA . 27920 1 178 . ILE . 27920 1 179 . LYS . 27920 1 180 . ASP . 27920 1 181 . SER . 27920 1 182 . GLY . 27920 1 183 . ALA . 27920 1 184 . LEU . 27920 1 185 . PRO . 27920 1 186 . ILE . 27920 1 187 . GLY . 27920 1 188 . VAL . 27920 1 189 . GLY . 27920 1 190 . ARG . 27920 1 191 . PRO . 27920 1 192 . GLU . 27920 1 193 . ASP . 27920 1 194 . LEU . 27920 1 195 . GLY . 27920 1 196 . ASP . 27920 1 197 . ASP . 27920 1 198 . ILE . 27920 1 199 . VAL . 27920 1 200 . ILE . 27920 1 201 . VAL . 27920 1 202 . PRO . 27920 1 203 . ASP . 27920 1 204 . THR . 27920 1 205 . SER . 27920 1 206 . HIS . 27920 1 207 . TYR . 27920 1 208 . THR . 27920 1 209 . LEU . 27920 1 210 . GLU . 27920 1 211 . PHE . 27920 1 212 . LEU . 27920 1 213 . LYS . 27920 1 214 . GLU . 27920 1 215 . VAL . 27920 1 216 . TRP . 27920 1 217 . LEU . 27920 1 218 . GLN . 27920 1 219 . LYS . 27920 1 220 . GLN . 27920 1 221 . LYS . 27920 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 27920 1 . PHE 2 2 27920 1 . LYS 3 3 27920 1 . ALA 4 4 27920 1 . VAL 5 5 27920 1 . LEU 6 6 27920 1 . PHE 7 7 27920 1 . ASP 8 8 27920 1 . LEU 9 9 27920 1 . ASN 10 10 27920 1 . GLY 11 11 27920 1 . VAL 12 12 27920 1 . ILE 13 13 27920 1 . THR 14 14 27920 1 . ASP 15 15 27920 1 . THR 16 16 27920 1 . ALA 17 17 27920 1 . GLU 18 18 27920 1 . TYR 19 19 27920 1 . HIS 20 20 27920 1 . PHE 21 21 27920 1 . ARG 22 22 27920 1 . ALA 23 23 27920 1 . TRP 24 24 27920 1 . LYS 25 25 27920 1 . ALA 26 26 27920 1 . LEU 27 27 27920 1 . ALA 28 28 27920 1 . GLU 29 29 27920 1 . GLU 30 30 27920 1 . ILE 31 31 27920 1 . GLY 32 32 27920 1 . ILE 33 33 27920 1 . ASN 34 34 27920 1 . GLY 35 35 27920 1 . VAL 36 36 27920 1 . ASP 37 37 27920 1 . ARG 38 38 27920 1 . GLN 39 39 27920 1 . PHE 40 40 27920 1 . ASN 41 41 27920 1 . GLU 42 42 27920 1 . GLN 43 43 27920 1 . LEU 44 44 27920 1 . LYS 45 45 27920 1 . GLY 46 46 27920 1 . VAL 47 47 27920 1 . SER 48 48 27920 1 . ARG 49 49 27920 1 . GLU 50 50 27920 1 . ASP 51 51 27920 1 . SER 52 52 27920 1 . LEU 53 53 27920 1 . GLN 54 54 27920 1 . LYS 55 55 27920 1 . ILE 56 56 27920 1 . LEU 57 57 27920 1 . ASP 58 58 27920 1 . LEU 59 59 27920 1 . ALA 60 60 27920 1 . ASP 61 61 27920 1 . LYS 62 62 27920 1 . LYS 63 63 27920 1 . VAL 64 64 27920 1 . SER 65 65 27920 1 . ALA 66 66 27920 1 . GLU 67 67 27920 1 . GLU 68 68 27920 1 . PHE 69 69 27920 1 . LYS 70 70 27920 1 . GLU 71 71 27920 1 . LEU 72 72 27920 1 . ALA 73 73 27920 1 . LYS 74 74 27920 1 . ARG 75 75 27920 1 . LYS 76 76 27920 1 . ASN 77 77 27920 1 . ASP 78 78 27920 1 . ASN 79 79 27920 1 . TYR 80 80 27920 1 . VAL 81 81 27920 1 . LYS 82 82 27920 1 . MET 83 83 27920 1 . ILE 84 84 27920 1 . GLN 85 85 27920 1 . ASP 86 86 27920 1 . VAL 87 87 27920 1 . SER 88 88 27920 1 . PRO 89 89 27920 1 . ALA 90 90 27920 1 . ASP 91 91 27920 1 . VAL 92 92 27920 1 . TYR 93 93 27920 1 . PRO 94 94 27920 1 . GLY 95 95 27920 1 . ILE 96 96 27920 1 . LEU 97 97 27920 1 . GLN 98 98 27920 1 . LEU 99 99 27920 1 . LEU 100 100 27920 1 . LYS 101 101 27920 1 . ASP 102 102 27920 1 . LEU 103 103 27920 1 . ARG 104 104 27920 1 . SER 105 105 27920 1 . ASN 106 106 27920 1 . LYS 107 107 27920 1 . ILE 108 108 27920 1 . LYS 109 109 27920 1 . ILE 110 110 27920 1 . ALA 111 111 27920 1 . LEU 112 112 27920 1 . ALA 113 113 27920 1 . SER 114 114 27920 1 . ALA 115 115 27920 1 . SER 116 116 27920 1 . LYS 117 117 27920 1 . ASN 118 118 27920 1 . GLY 119 119 27920 1 . PRO 120 120 27920 1 . PHE 121 121 27920 1 . LEU 122 122 27920 1 . LEU 123 123 27920 1 . GLU 124 124 27920 1 . ARG 125 125 27920 1 . MET 126 126 27920 1 . ASN 127 127 27920 1 . LEU 128 128 27920 1 . THR 129 129 27920 1 . GLY 130 130 27920 1 . TYR 131 131 27920 1 . PHE 132 132 27920 1 . ASP 133 133 27920 1 . ALA 134 134 27920 1 . ILE 135 135 27920 1 . ALA 136 136 27920 1 . ASP 137 137 27920 1 . PRO 138 138 27920 1 . ALA 139 139 27920 1 . GLU 140 140 27920 1 . VAL 141 141 27920 1 . ALA 142 142 27920 1 . ALA 143 143 27920 1 . SER 144 144 27920 1 . LYS 145 145 27920 1 . ALA 146 146 27920 1 . ALA 147 147 27920 1 . PRO 148 148 27920 1 . ASP 149 149 27920 1 . ILE 150 150 27920 1 . PHE 151 151 27920 1 . ILE 152 152 27920 1 . ALA 153 153 27920 1 . ALA 154 154 27920 1 . ALA 155 155 27920 1 . HIS 156 156 27920 1 . ALA 157 157 27920 1 . VAL 158 158 27920 1 . GLY 159 159 27920 1 . VAL 160 160 27920 1 . ALA 161 161 27920 1 . PRO 162 162 27920 1 . SER 163 163 27920 1 . GLU 164 164 27920 1 . SER 165 165 27920 1 . ILE 166 166 27920 1 . GLY 167 167 27920 1 . LEU 168 168 27920 1 . GLU 169 169 27920 1 . ASP 170 170 27920 1 . SER 171 171 27920 1 . GLN 172 172 27920 1 . ALA 173 173 27920 1 . GLY 174 174 27920 1 . ILE 175 175 27920 1 . GLN 176 176 27920 1 . ALA 177 177 27920 1 . ILE 178 178 27920 1 . LYS 179 179 27920 1 . ASP 180 180 27920 1 . SER 181 181 27920 1 . GLY 182 182 27920 1 . ALA 183 183 27920 1 . LEU 184 184 27920 1 . PRO 185 185 27920 1 . ILE 186 186 27920 1 . GLY 187 187 27920 1 . VAL 188 188 27920 1 . GLY 189 189 27920 1 . ARG 190 190 27920 1 . PRO 191 191 27920 1 . GLU 192 192 27920 1 . ASP 193 193 27920 1 . LEU 194 194 27920 1 . GLY 195 195 27920 1 . ASP 196 196 27920 1 . ASP 197 197 27920 1 . ILE 198 198 27920 1 . VAL 199 199 27920 1 . ILE 200 200 27920 1 . VAL 201 201 27920 1 . PRO 202 202 27920 1 . ASP 203 203 27920 1 . THR 204 204 27920 1 . SER 205 205 27920 1 . HIS 206 206 27920 1 . TYR 207 207 27920 1 . THR 208 208 27920 1 . LEU 209 209 27920 1 . GLU 210 210 27920 1 . PHE 211 211 27920 1 . LEU 212 212 27920 1 . LYS 213 213 27920 1 . GLU 214 214 27920 1 . VAL 215 215 27920 1 . TRP 216 216 27920 1 . LEU 217 217 27920 1 . GLN 218 218 27920 1 . LYS 219 219 27920 1 . GLN 220 220 27920 1 . LYS 221 221 27920 1 stop_ save_ save_entity_MG _Entity.Sf_category entity _Entity.Sf_framecode entity_MG _Entity.Entry_ID 27920 _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 27920 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 27920 2 MG 'Three letter code' 27920 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 27920 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 27920 _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' . . . Bacteria Bacteria Lactococcus lactis . . . . . . . . . . . pgmB . 27920 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 27920 _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(+) . . . 27920 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 27920 _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 27920 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 27920 MG [Mg++] SMILES CACTVS 3.341 27920 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 27920 MG [Mg+2] SMILES ACDLabs 10.04 27920 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 27920 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 27920 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 27920 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 27920 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 . 27920 MG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27920 _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 . . 1.2 . . mM . . . . 27920 1 2 'potassium HEPES buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 27920 1 3 'magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 27920 1 4 'sodium azide' 'natural abundance' . . . . . . 2 . . mM . . . . 27920 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 27920 1 6 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 27920 1 7 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27920 1 8 TSP [U-2H] . . . . . . 1 . . mM . . . . 27920 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 27920 _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' 77 . mM 27920 1 pH 7.2 . pH 27920 1 pressure 1 . atm 27920 1 temperature 298 . K 27920 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27920 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27920 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27920 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 27920 _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.' . . 27920 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27920 2 . 'data analysis' 27920 2 . 'peak picking' 27920 2 . processing 27920 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 27920 _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 27920 _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 . . . 27920 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 27920 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27920 1 2 '3D TROSY-HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27920 1 3 '3D TROSY HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27920 1 4 '3D TROSY HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27920 1 5 '3D TROSY HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27920 1 6 '3D TROSY HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27920 1 7 '3D TROSY HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27920 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 27920 _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 . . . . . 27920 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27920 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27920 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 27920 _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 'TROSY offset: amide protons and amide nitrogens.' _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' . . . 27920 1 2 '3D TROSY-HNCO' . . . 27920 1 3 '3D TROSY HN(CA)CO' . . . 27920 1 4 '3D TROSY HNCA' . . . 27920 1 5 '3D TROSY HN(CO)CA' . . . 27920 1 6 '3D TROSY HNCACB' . . . 27920 1 7 '3D TROSY HN(CO)CACB' . . . 27920 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 . . 27920 1 2 $Felix . . 27920 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET C C 13 175.067 0.050 . 1 . . . . . 1 MET C . 27920 1 2 . 1 . 1 2 2 PHE H H 1 5.272 0.005 . 1 . . . . . 2 PHE HN . 27920 1 3 . 1 . 1 2 2 PHE C C 13 173.809 0.050 . 1 . . . . . 2 PHE C . 27920 1 4 . 1 . 1 2 2 PHE CA C 13 55.841 0.050 . 1 . . . . . 2 PHE CA . 27920 1 5 . 1 . 1 2 2 PHE CB C 13 36.117 0.050 . 1 . . . . . 2 PHE CB . 27920 1 6 . 1 . 1 2 2 PHE N N 15 117.150 0.050 . 1 . . . . . 2 PHE N . 27920 1 7 . 1 . 1 3 3 LYS H H 1 8.794 0.005 . 1 . . . . . 3 LYS HN . 27920 1 8 . 1 . 1 3 3 LYS C C 13 176.627 0.050 . 1 . . . . . 3 LYS C . 27920 1 9 . 1 . 1 3 3 LYS CA C 13 55.627 0.050 . 1 . . . . . 3 LYS CA . 27920 1 10 . 1 . 1 3 3 LYS CB C 13 35.827 0.050 . 1 . . . . . 3 LYS CB . 27920 1 11 . 1 . 1 3 3 LYS N N 15 116.133 0.050 . 1 . . . . . 3 LYS N . 27920 1 12 . 1 . 1 4 4 ALA H H 1 7.684 0.005 . 1 . . . . . 4 ALA HN . 27920 1 13 . 1 . 1 4 4 ALA C C 13 175.267 0.050 . 1 . . . . . 4 ALA C . 27920 1 14 . 1 . 1 4 4 ALA CA C 13 50.691 0.050 . 1 . . . . . 4 ALA CA . 27920 1 15 . 1 . 1 4 4 ALA CB C 13 22.643 0.050 . 1 . . . . . 4 ALA CB . 27920 1 16 . 1 . 1 4 4 ALA N N 15 121.129 0.050 . 1 . . . . . 4 ALA N . 27920 1 17 . 1 . 1 5 5 VAL H H 1 8.678 0.005 . 1 . . . . . 5 VAL HN . 27920 1 18 . 1 . 1 5 5 VAL C C 13 172.689 0.050 . 1 . . . . . 5 VAL C . 27920 1 19 . 1 . 1 5 5 VAL CA C 13 61.016 0.050 . 1 . . . . . 5 VAL CA . 27920 1 20 . 1 . 1 5 5 VAL CB C 13 32.797 0.050 . 1 . . . . . 5 VAL CB . 27920 1 21 . 1 . 1 5 5 VAL N N 15 119.978 0.050 . 1 . . . . . 5 VAL N . 27920 1 22 . 1 . 1 6 6 LEU H H 1 9.304 0.005 . 1 . . . . . 6 LEU HN . 27920 1 23 . 1 . 1 6 6 LEU C C 13 175.625 0.050 . 1 . . . . . 6 LEU C . 27920 1 24 . 1 . 1 6 6 LEU CA C 13 51.807 0.050 . 1 . . . . . 6 LEU CA . 27920 1 25 . 1 . 1 6 6 LEU CB C 13 40.748 0.050 . 1 . . . . . 6 LEU CB . 27920 1 26 . 1 . 1 6 6 LEU N N 15 126.081 0.050 . 1 . . . . . 6 LEU N . 27920 1 27 . 1 . 1 7 7 PHE H H 1 9.377 0.005 . 1 . . . . . 7 PHE HN . 27920 1 28 . 1 . 1 7 7 PHE C C 13 177.264 0.050 . 1 . . . . . 7 PHE C . 27920 1 29 . 1 . 1 7 7 PHE CA C 13 58.971 0.050 . 1 . . . . . 7 PHE CA . 27920 1 30 . 1 . 1 7 7 PHE CB C 13 40.758 0.050 . 1 . . . . . 7 PHE CB . 27920 1 31 . 1 . 1 7 7 PHE N N 15 122.069 0.050 . 1 . . . . . 7 PHE N . 27920 1 32 . 1 . 1 8 8 ASP H H 1 7.193 0.005 . 1 . . . . . 8 ASP HN . 27920 1 33 . 1 . 1 8 8 ASP C C 13 173.599 0.050 . 1 . . . . . 8 ASP C . 27920 1 34 . 1 . 1 8 8 ASP CA C 13 53.560 0.050 . 1 . . . . . 8 ASP CA . 27920 1 35 . 1 . 1 8 8 ASP CB C 13 43.130 0.050 . 1 . . . . . 8 ASP CB . 27920 1 36 . 1 . 1 8 8 ASP N N 15 121.338 0.050 . 1 . . . . . 8 ASP N . 27920 1 37 . 1 . 1 11 11 GLY C C 13 171.718 0.050 . 1 . . . . . 11 GLY C . 27920 1 38 . 1 . 1 11 11 GLY CA C 13 44.826 0.050 . 1 . . . . . 11 GLY CA . 27920 1 39 . 1 . 1 12 12 VAL H H 1 7.466 0.005 . 1 . . . . . 12 VAL HN . 27920 1 40 . 1 . 1 12 12 VAL C C 13 172.723 0.050 . 1 . . . . . 12 VAL C . 27920 1 41 . 1 . 1 12 12 VAL CA C 13 64.184 0.050 . 1 . . . . . 12 VAL CA . 27920 1 42 . 1 . 1 12 12 VAL CB C 13 33.194 0.050 . 1 . . . . . 12 VAL CB . 27920 1 43 . 1 . 1 12 12 VAL N N 15 118.321 0.050 . 1 . . . . . 12 VAL N . 27920 1 44 . 1 . 1 13 13 ILE H H 1 8.098 0.005 . 1 . . . . . 13 ILE HN . 27920 1 45 . 1 . 1 13 13 ILE C C 13 175.377 0.050 . 1 . . . . . 13 ILE C . 27920 1 46 . 1 . 1 13 13 ILE CA C 13 63.514 0.050 . 1 . . . . . 13 ILE CA . 27920 1 47 . 1 . 1 13 13 ILE CB C 13 38.522 0.050 . 1 . . . . . 13 ILE CB . 27920 1 48 . 1 . 1 13 13 ILE N N 15 114.548 0.050 . 1 . . . . . 13 ILE N . 27920 1 49 . 1 . 1 14 14 THR H H 1 7.208 0.005 . 1 . . . . . 14 THR HN . 27920 1 50 . 1 . 1 14 14 THR C C 13 171.959 0.050 . 1 . . . . . 14 THR C . 27920 1 51 . 1 . 1 14 14 THR CA C 13 59.189 0.050 . 1 . . . . . 14 THR CA . 27920 1 52 . 1 . 1 14 14 THR CB C 13 67.278 0.050 . 1 . . . . . 14 THR CB . 27920 1 53 . 1 . 1 14 14 THR N N 15 109.332 0.050 . 1 . . . . . 14 THR N . 27920 1 54 . 1 . 1 15 15 ASP H H 1 8.234 0.005 . 1 . . . . . 15 ASP HN . 27920 1 55 . 1 . 1 15 15 ASP C C 13 176.510 0.050 . 1 . . . . . 15 ASP C . 27920 1 56 . 1 . 1 15 15 ASP CA C 13 53.761 0.050 . 1 . . . . . 15 ASP CA . 27920 1 57 . 1 . 1 15 15 ASP CB C 13 42.883 0.050 . 1 . . . . . 15 ASP CB . 27920 1 58 . 1 . 1 15 15 ASP N N 15 120.885 0.050 . 1 . . . . . 15 ASP N . 27920 1 59 . 1 . 1 16 16 THR H H 1 9.203 0.005 . 1 . . . . . 16 THR HN . 27920 1 60 . 1 . 1 16 16 THR C C 13 176.154 0.050 . 1 . . . . . 16 THR C . 27920 1 61 . 1 . 1 16 16 THR CA C 13 60.874 0.050 . 1 . . . . . 16 THR CA . 27920 1 62 . 1 . 1 16 16 THR CB C 13 68.661 0.050 . 1 . . . . . 16 THR CB . 27920 1 63 . 1 . 1 16 16 THR N N 15 114.745 0.050 . 1 . . . . . 16 THR N . 27920 1 64 . 1 . 1 17 17 ALA H H 1 9.052 0.005 . 1 . . . . . 17 ALA HN . 27920 1 65 . 1 . 1 17 17 ALA C C 13 181.029 0.050 . 1 . . . . . 17 ALA C . 27920 1 66 . 1 . 1 17 17 ALA CA C 13 56.240 0.050 . 1 . . . . . 17 ALA CA . 27920 1 67 . 1 . 1 17 17 ALA CB C 13 18.233 0.050 . 1 . . . . . 17 ALA CB . 27920 1 68 . 1 . 1 17 17 ALA N N 15 128.885 0.050 . 1 . . . . . 17 ALA N . 27920 1 69 . 1 . 1 18 18 GLU H H 1 9.222 0.005 . 1 . . . . . 18 GLU HN . 27920 1 70 . 1 . 1 18 18 GLU C C 13 178.212 0.050 . 1 . . . . . 18 GLU C . 27920 1 71 . 1 . 1 18 18 GLU CA C 13 58.416 0.050 . 1 . . . . . 18 GLU CA . 27920 1 72 . 1 . 1 18 18 GLU CB C 13 28.414 0.050 . 1 . . . . . 18 GLU CB . 27920 1 73 . 1 . 1 18 18 GLU N N 15 119.757 0.050 . 1 . . . . . 18 GLU N . 27920 1 74 . 1 . 1 19 19 TYR H H 1 7.336 0.005 . 1 . . . . . 19 TYR HN . 27920 1 75 . 1 . 1 19 19 TYR C C 13 178.712 0.050 . 1 . . . . . 19 TYR C . 27920 1 76 . 1 . 1 19 19 TYR CA C 13 60.868 0.050 . 1 . . . . . 19 TYR CA . 27920 1 77 . 1 . 1 19 19 TYR CB C 13 37.215 0.050 . 1 . . . . . 19 TYR CB . 27920 1 78 . 1 . 1 19 19 TYR N N 15 118.095 0.050 . 1 . . . . . 19 TYR N . 27920 1 79 . 1 . 1 20 20 HIS H H 1 8.007 0.005 . 1 . . . . . 20 HIS HN . 27920 1 80 . 1 . 1 20 20 HIS C C 13 177.339 0.050 . 1 . . . . . 20 HIS C . 27920 1 81 . 1 . 1 20 20 HIS CA C 13 61.672 0.050 . 1 . . . . . 20 HIS CA . 27920 1 82 . 1 . 1 20 20 HIS CB C 13 30.843 0.050 . 1 . . . . . 20 HIS CB . 27920 1 83 . 1 . 1 20 20 HIS N N 15 119.045 0.050 . 1 . . . . . 20 HIS N . 27920 1 84 . 1 . 1 21 21 PHE H H 1 8.375 0.005 . 1 . . . . . 21 PHE HN . 27920 1 85 . 1 . 1 21 21 PHE C C 13 176.974 0.050 . 1 . . . . . 21 PHE C . 27920 1 86 . 1 . 1 21 21 PHE CA C 13 60.233 0.050 . 1 . . . . . 21 PHE CA . 27920 1 87 . 1 . 1 21 21 PHE CB C 13 37.446 0.050 . 1 . . . . . 21 PHE CB . 27920 1 88 . 1 . 1 21 21 PHE N N 15 119.065 0.050 . 1 . . . . . 21 PHE N . 27920 1 89 . 1 . 1 22 22 ARG H H 1 8.409 0.005 . 1 . . . . . 22 ARG HN . 27920 1 90 . 1 . 1 22 22 ARG C C 13 179.548 0.050 . 1 . . . . . 22 ARG C . 27920 1 91 . 1 . 1 22 22 ARG CA C 13 59.276 0.050 . 1 . . . . . 22 ARG CA . 27920 1 92 . 1 . 1 22 22 ARG CB C 13 29.851 0.050 . 1 . . . . . 22 ARG CB . 27920 1 93 . 1 . 1 22 22 ARG N N 15 117.820 0.050 . 1 . . . . . 22 ARG N . 27920 1 94 . 1 . 1 23 23 ALA H H 1 8.185 0.005 . 1 . . . . . 23 ALA HN . 27920 1 95 . 1 . 1 23 23 ALA C C 13 179.777 0.050 . 1 . . . . . 23 ALA C . 27920 1 96 . 1 . 1 23 23 ALA CA C 13 55.303 0.050 . 1 . . . . . 23 ALA CA . 27920 1 97 . 1 . 1 23 23 ALA CB C 13 17.816 0.050 . 1 . . . . . 23 ALA CB . 27920 1 98 . 1 . 1 23 23 ALA N N 15 123.266 0.050 . 1 . . . . . 23 ALA N . 27920 1 99 . 1 . 1 24 24 TRP H H 1 8.508 0.005 . 1 . . . . . 24 TRP HN . 27920 1 100 . 1 . 1 24 24 TRP C C 13 178.639 0.050 . 1 . . . . . 24 TRP C . 27920 1 101 . 1 . 1 24 24 TRP CA C 13 59.337 0.050 . 1 . . . . . 24 TRP CA . 27920 1 102 . 1 . 1 24 24 TRP CB C 13 29.829 0.050 . 1 . . . . . 24 TRP CB . 27920 1 103 . 1 . 1 24 24 TRP N N 15 120.025 0.050 . 1 . . . . . 24 TRP N . 27920 1 104 . 1 . 1 25 25 LYS H H 1 8.825 0.005 . 1 . . . . . 25 LYS HN . 27920 1 105 . 1 . 1 25 25 LYS C C 13 178.189 0.050 . 1 . . . . . 25 LYS C . 27920 1 106 . 1 . 1 25 25 LYS CA C 13 59.585 0.050 . 1 . . . . . 25 LYS CA . 27920 1 107 . 1 . 1 25 25 LYS CB C 13 31.488 0.050 . 1 . . . . . 25 LYS CB . 27920 1 108 . 1 . 1 25 25 LYS N N 15 120.819 0.050 . 1 . . . . . 25 LYS N . 27920 1 109 . 1 . 1 26 26 ALA H H 1 7.833 0.005 . 1 . . . . . 26 ALA HN . 27920 1 110 . 1 . 1 26 26 ALA C C 13 180.704 0.050 . 1 . . . . . 26 ALA C . 27920 1 111 . 1 . 1 26 26 ALA CA C 13 54.164 0.050 . 1 . . . . . 26 ALA CA . 27920 1 112 . 1 . 1 26 26 ALA CB C 13 17.189 0.050 . 1 . . . . . 26 ALA CB . 27920 1 113 . 1 . 1 26 26 ALA N N 15 119.574 0.050 . 1 . . . . . 26 ALA N . 27920 1 114 . 1 . 1 27 27 LEU H H 1 7.472 0.005 . 1 . . . . . 27 LEU HN . 27920 1 115 . 1 . 1 27 27 LEU C C 13 178.100 0.050 . 1 . . . . . 27 LEU C . 27920 1 116 . 1 . 1 27 27 LEU CA C 13 57.032 0.050 . 1 . . . . . 27 LEU CA . 27920 1 117 . 1 . 1 27 27 LEU CB C 13 41.599 0.050 . 1 . . . . . 27 LEU CB . 27920 1 118 . 1 . 1 27 27 LEU N N 15 120.291 0.050 . 1 . . . . . 27 LEU N . 27920 1 119 . 1 . 1 28 28 ALA H H 1 8.668 0.005 . 1 . . . . . 28 ALA HN . 27920 1 120 . 1 . 1 28 28 ALA C C 13 179.764 0.050 . 1 . . . . . 28 ALA C . 27920 1 121 . 1 . 1 28 28 ALA CA C 13 55.041 0.050 . 1 . . . . . 28 ALA CA . 27920 1 122 . 1 . 1 28 28 ALA CB C 13 17.304 0.050 . 1 . . . . . 28 ALA CB . 27920 1 123 . 1 . 1 28 28 ALA N N 15 120.907 0.050 . 1 . . . . . 28 ALA N . 27920 1 124 . 1 . 1 29 29 GLU H H 1 8.293 0.005 . 1 . . . . . 29 GLU HN . 27920 1 125 . 1 . 1 29 29 GLU C C 13 180.283 0.050 . 1 . . . . . 29 GLU C . 27920 1 126 . 1 . 1 29 29 GLU CA C 13 58.746 0.050 . 1 . . . . . 29 GLU CA . 27920 1 127 . 1 . 1 29 29 GLU CB C 13 28.280 0.050 . 1 . . . . . 29 GLU CB . 27920 1 128 . 1 . 1 29 29 GLU N N 15 116.948 0.050 . 1 . . . . . 29 GLU N . 27920 1 129 . 1 . 1 30 30 GLU H H 1 7.852 0.005 . 1 . . . . . 30 GLU HN . 27920 1 130 . 1 . 1 30 30 GLU C C 13 178.805 0.050 . 1 . . . . . 30 GLU C . 27920 1 131 . 1 . 1 30 30 GLU CA C 13 58.889 0.050 . 1 . . . . . 30 GLU CA . 27920 1 132 . 1 . 1 30 30 GLU CB C 13 28.764 0.050 . 1 . . . . . 30 GLU CB . 27920 1 133 . 1 . 1 30 30 GLU N N 15 121.321 0.050 . 1 . . . . . 30 GLU N . 27920 1 134 . 1 . 1 31 31 ILE H H 1 7.665 0.005 . 1 . . . . . 31 ILE HN . 27920 1 135 . 1 . 1 31 31 ILE C C 13 175.936 0.050 . 1 . . . . . 31 ILE C . 27920 1 136 . 1 . 1 31 31 ILE CA C 13 61.011 0.050 . 1 . . . . . 31 ILE CA . 27920 1 137 . 1 . 1 31 31 ILE CB C 13 36.947 0.050 . 1 . . . . . 31 ILE CB . 27920 1 138 . 1 . 1 31 31 ILE N N 15 111.721 0.050 . 1 . . . . . 31 ILE N . 27920 1 139 . 1 . 1 32 32 GLY H H 1 7.602 0.005 . 1 . . . . . 32 GLY HN . 27920 1 140 . 1 . 1 32 32 GLY C C 13 174.543 0.050 . 1 . . . . . 32 GLY C . 27920 1 141 . 1 . 1 32 32 GLY CA C 13 45.897 0.050 . 1 . . . . . 32 GLY CA . 27920 1 142 . 1 . 1 32 32 GLY N N 15 109.508 0.050 . 1 . . . . . 32 GLY N . 27920 1 143 . 1 . 1 33 33 ILE H H 1 8.269 0.005 . 1 . . . . . 33 ILE HN . 27920 1 144 . 1 . 1 33 33 ILE C C 13 174.992 0.050 . 1 . . . . . 33 ILE C . 27920 1 145 . 1 . 1 33 33 ILE CA C 13 60.873 0.050 . 1 . . . . . 33 ILE CA . 27920 1 146 . 1 . 1 33 33 ILE CB C 13 38.347 0.050 . 1 . . . . . 33 ILE CB . 27920 1 147 . 1 . 1 33 33 ILE N N 15 122.267 0.050 . 1 . . . . . 33 ILE N . 27920 1 148 . 1 . 1 34 34 ASN H H 1 8.516 0.005 . 1 . . . . . 34 ASN HN . 27920 1 149 . 1 . 1 34 34 ASN C C 13 175.142 0.050 . 1 . . . . . 34 ASN C . 27920 1 150 . 1 . 1 34 34 ASN CA C 13 52.564 0.050 . 1 . . . . . 34 ASN CA . 27920 1 151 . 1 . 1 34 34 ASN CB C 13 39.436 0.050 . 1 . . . . . 34 ASN CB . 27920 1 152 . 1 . 1 34 34 ASN N N 15 125.911 0.050 . 1 . . . . . 34 ASN N . 27920 1 153 . 1 . 1 35 35 GLY H H 1 7.946 0.005 . 1 . . . . . 35 GLY HN . 27920 1 154 . 1 . 1 35 35 GLY C C 13 174.177 0.050 . 1 . . . . . 35 GLY C . 27920 1 155 . 1 . 1 35 35 GLY CA C 13 44.776 0.050 . 1 . . . . . 35 GLY CA . 27920 1 156 . 1 . 1 35 35 GLY N N 15 107.552 0.050 . 1 . . . . . 35 GLY N . 27920 1 157 . 1 . 1 36 36 VAL H H 1 8.428 0.005 . 1 . . . . . 36 VAL HN . 27920 1 158 . 1 . 1 36 36 VAL C C 13 174.135 0.050 . 1 . . . . . 36 VAL C . 27920 1 159 . 1 . 1 36 36 VAL CA C 13 62.389 0.050 . 1 . . . . . 36 VAL CA . 27920 1 160 . 1 . 1 36 36 VAL CB C 13 28.735 0.050 . 1 . . . . . 36 VAL CB . 27920 1 161 . 1 . 1 36 36 VAL N N 15 121.859 0.050 . 1 . . . . . 36 VAL N . 27920 1 162 . 1 . 1 37 37 ASP H H 1 7.587 0.005 . 1 . . . . . 37 ASP HN . 27920 1 163 . 1 . 1 37 37 ASP C C 13 176.429 0.050 . 1 . . . . . 37 ASP C . 27920 1 164 . 1 . 1 37 37 ASP CA C 13 51.646 0.050 . 1 . . . . . 37 ASP CA . 27920 1 165 . 1 . 1 37 37 ASP CB C 13 41.891 0.050 . 1 . . . . . 37 ASP CB . 27920 1 166 . 1 . 1 37 37 ASP N N 15 125.919 0.050 . 1 . . . . . 37 ASP N . 27920 1 167 . 1 . 1 38 38 ARG C C 13 178.575 0.050 . 1 . . . . . 38 ARG C . 27920 1 168 . 1 . 1 38 38 ARG CA C 13 59.176 0.050 . 1 . . . . . 38 ARG CA . 27920 1 169 . 1 . 1 38 38 ARG CB C 13 28.429 0.050 . 1 . . . . . 38 ARG CB . 27920 1 170 . 1 . 1 39 39 GLN H H 1 8.058 0.005 . 1 . . . . . 39 GLN HN . 27920 1 171 . 1 . 1 39 39 GLN C C 13 178.730 0.050 . 1 . . . . . 39 GLN C . 27920 1 172 . 1 . 1 39 39 GLN CA C 13 58.443 0.050 . 1 . . . . . 39 GLN CA . 27920 1 173 . 1 . 1 39 39 GLN CB C 13 27.242 0.050 . 1 . . . . . 39 GLN CB . 27920 1 174 . 1 . 1 39 39 GLN N N 15 119.622 0.050 . 1 . . . . . 39 GLN N . 27920 1 175 . 1 . 1 40 40 PHE H H 1 8.561 0.005 . 1 . . . . . 40 PHE HN . 27920 1 176 . 1 . 1 40 40 PHE C C 13 177.575 0.050 . 1 . . . . . 40 PHE C . 27920 1 177 . 1 . 1 40 40 PHE CA C 13 61.108 0.050 . 1 . . . . . 40 PHE CA . 27920 1 178 . 1 . 1 40 40 PHE CB C 13 38.866 0.050 . 1 . . . . . 40 PHE CB . 27920 1 179 . 1 . 1 40 40 PHE N N 15 123.644 0.050 . 1 . . . . . 40 PHE N . 27920 1 180 . 1 . 1 41 41 ASN H H 1 8.339 0.005 . 1 . . . . . 41 ASN HN . 27920 1 181 . 1 . 1 41 41 ASN C C 13 177.483 0.050 . 1 . . . . . 41 ASN C . 27920 1 182 . 1 . 1 41 41 ASN CA C 13 56.059 0.050 . 1 . . . . . 41 ASN CA . 27920 1 183 . 1 . 1 41 41 ASN CB C 13 39.227 0.050 . 1 . . . . . 41 ASN CB . 27920 1 184 . 1 . 1 41 41 ASN N N 15 116.040 0.050 . 1 . . . . . 41 ASN N . 27920 1 185 . 1 . 1 42 42 GLU H H 1 7.732 0.005 . 1 . . . . . 42 GLU HN . 27920 1 186 . 1 . 1 42 42 GLU C C 13 179.077 0.050 . 1 . . . . . 42 GLU C . 27920 1 187 . 1 . 1 42 42 GLU CA C 13 58.661 0.050 . 1 . . . . . 42 GLU CA . 27920 1 188 . 1 . 1 42 42 GLU CB C 13 28.612 0.050 . 1 . . . . . 42 GLU CB . 27920 1 189 . 1 . 1 42 42 GLU N N 15 118.996 0.050 . 1 . . . . . 42 GLU N . 27920 1 190 . 1 . 1 43 43 GLN H H 1 7.695 0.005 . 1 . . . . . 43 GLN HN . 27920 1 191 . 1 . 1 43 43 GLN C C 13 176.386 0.050 . 1 . . . . . 43 GLN C . 27920 1 192 . 1 . 1 43 43 GLN CA C 13 56.337 0.050 . 1 . . . . . 43 GLN CA . 27920 1 193 . 1 . 1 43 43 GLN CB C 13 27.540 0.050 . 1 . . . . . 43 GLN CB . 27920 1 194 . 1 . 1 43 43 GLN N N 15 116.123 0.050 . 1 . . . . . 43 GLN N . 27920 1 195 . 1 . 1 46 46 GLY C C 13 174.281 0.050 . 1 . . . . . 46 GLY C . 27920 1 196 . 1 . 1 46 46 GLY CA C 13 45.358 0.050 . 1 . . . . . 46 GLY CA . 27920 1 197 . 1 . 1 47 47 VAL H H 1 7.482 0.005 . 1 . . . . . 47 VAL HN . 27920 1 198 . 1 . 1 47 47 VAL C C 13 176.435 0.050 . 1 . . . . . 47 VAL C . 27920 1 199 . 1 . 1 47 47 VAL CA C 13 61.312 0.050 . 1 . . . . . 47 VAL CA . 27920 1 200 . 1 . 1 47 47 VAL CB C 13 31.800 0.050 . 1 . . . . . 47 VAL CB . 27920 1 201 . 1 . 1 47 47 VAL N N 15 120.039 0.050 . 1 . . . . . 47 VAL N . 27920 1 202 . 1 . 1 53 53 LEU C C 13 178.248 0.050 . 1 . . . . . 53 LEU C . 27920 1 203 . 1 . 1 53 53 LEU CA C 13 57.072 0.050 . 1 . . . . . 53 LEU CA . 27920 1 204 . 1 . 1 53 53 LEU CB C 13 39.356 0.050 . 1 . . . . . 53 LEU CB . 27920 1 205 . 1 . 1 54 54 GLN H H 1 8.167 0.005 . 1 . . . . . 54 GLN HN . 27920 1 206 . 1 . 1 54 54 GLN C C 13 177.202 0.050 . 1 . . . . . 54 GLN C . 27920 1 207 . 1 . 1 54 54 GLN CA C 13 58.188 0.050 . 1 . . . . . 54 GLN CA . 27920 1 208 . 1 . 1 54 54 GLN CB C 13 28.005 0.050 . 1 . . . . . 54 GLN CB . 27920 1 209 . 1 . 1 54 54 GLN N N 15 117.701 0.050 . 1 . . . . . 54 GLN N . 27920 1 210 . 1 . 1 55 55 LYS H H 1 7.581 0.005 . 1 . . . . . 55 LYS HN . 27920 1 211 . 1 . 1 55 55 LYS C C 13 179.565 0.050 . 1 . . . . . 55 LYS C . 27920 1 212 . 1 . 1 55 55 LYS CA C 13 59.160 0.050 . 1 . . . . . 55 LYS CA . 27920 1 213 . 1 . 1 55 55 LYS CB C 13 31.369 0.050 . 1 . . . . . 55 LYS CB . 27920 1 214 . 1 . 1 55 55 LYS N N 15 117.690 0.050 . 1 . . . . . 55 LYS N . 27920 1 215 . 1 . 1 56 56 ILE H H 1 7.521 0.005 . 1 . . . . . 56 ILE HN . 27920 1 216 . 1 . 1 56 56 ILE C C 13 177.401 0.050 . 1 . . . . . 56 ILE C . 27920 1 217 . 1 . 1 56 56 ILE CA C 13 64.844 0.050 . 1 . . . . . 56 ILE CA . 27920 1 218 . 1 . 1 56 56 ILE CB C 13 37.025 0.050 . 1 . . . . . 56 ILE CB . 27920 1 219 . 1 . 1 56 56 ILE N N 15 120.185 0.050 . 1 . . . . . 56 ILE N . 27920 1 220 . 1 . 1 57 57 LEU H H 1 8.301 0.005 . 1 . . . . . 57 LEU HN . 27920 1 221 . 1 . 1 57 57 LEU C C 13 180.807 0.050 . 1 . . . . . 57 LEU C . 27920 1 222 . 1 . 1 57 57 LEU CA C 13 57.779 0.050 . 1 . . . . . 57 LEU CA . 27920 1 223 . 1 . 1 57 57 LEU CB C 13 38.972 0.050 . 1 . . . . . 57 LEU CB . 27920 1 224 . 1 . 1 57 57 LEU N N 15 119.445 0.050 . 1 . . . . . 57 LEU N . 27920 1 225 . 1 . 1 58 58 ASP H H 1 8.669 0.005 . 1 . . . . . 58 ASP HN . 27920 1 226 . 1 . 1 58 58 ASP C C 13 179.500 0.050 . 1 . . . . . 58 ASP C . 27920 1 227 . 1 . 1 58 58 ASP CA C 13 56.449 0.050 . 1 . . . . . 58 ASP CA . 27920 1 228 . 1 . 1 58 58 ASP CB C 13 39.502 0.050 . 1 . . . . . 58 ASP CB . 27920 1 229 . 1 . 1 58 58 ASP N N 15 119.257 0.050 . 1 . . . . . 58 ASP N . 27920 1 230 . 1 . 1 59 59 LEU H H 1 7.727 0.005 . 1 . . . . . 59 LEU HN . 27920 1 231 . 1 . 1 59 59 LEU C C 13 178.322 0.050 . 1 . . . . . 59 LEU C . 27920 1 232 . 1 . 1 59 59 LEU CA C 13 57.285 0.050 . 1 . . . . . 59 LEU CA . 27920 1 233 . 1 . 1 59 59 LEU CB C 13 40.931 0.050 . 1 . . . . . 59 LEU CB . 27920 1 234 . 1 . 1 59 59 LEU N N 15 122.501 0.050 . 1 . . . . . 59 LEU N . 27920 1 235 . 1 . 1 60 60 ALA H H 1 7.227 0.005 . 1 . . . . . 60 ALA HN . 27920 1 236 . 1 . 1 60 60 ALA C C 13 175.989 0.050 . 1 . . . . . 60 ALA C . 27920 1 237 . 1 . 1 60 60 ALA CA C 13 50.347 0.050 . 1 . . . . . 60 ALA CA . 27920 1 238 . 1 . 1 60 60 ALA CB C 13 19.953 0.050 . 1 . . . . . 60 ALA CB . 27920 1 239 . 1 . 1 60 60 ALA N N 15 118.951 0.050 . 1 . . . . . 60 ALA N . 27920 1 240 . 1 . 1 61 61 ASP H H 1 7.884 0.005 . 1 . . . . . 61 ASP HN . 27920 1 241 . 1 . 1 61 61 ASP C C 13 174.716 0.050 . 1 . . . . . 61 ASP C . 27920 1 242 . 1 . 1 61 61 ASP CA C 13 55.016 0.050 . 1 . . . . . 61 ASP CA . 27920 1 243 . 1 . 1 61 61 ASP CB C 13 39.395 0.050 . 1 . . . . . 61 ASP CB . 27920 1 244 . 1 . 1 61 61 ASP N N 15 120.216 0.050 . 1 . . . . . 61 ASP N . 27920 1 245 . 1 . 1 62 62 LYS H H 1 7.832 0.005 . 1 . . . . . 62 LYS HN . 27920 1 246 . 1 . 1 62 62 LYS C C 13 175.480 0.050 . 1 . . . . . 62 LYS C . 27920 1 247 . 1 . 1 62 62 LYS CA C 13 55.374 0.050 . 1 . . . . . 62 LYS CA . 27920 1 248 . 1 . 1 62 62 LYS CB C 13 33.334 0.050 . 1 . . . . . 62 LYS CB . 27920 1 249 . 1 . 1 62 62 LYS N N 15 118.396 0.050 . 1 . . . . . 62 LYS N . 27920 1 250 . 1 . 1 63 63 LYS H H 1 8.503 0.005 . 1 . . . . . 63 LYS HN . 27920 1 251 . 1 . 1 63 63 LYS C C 13 176.334 0.050 . 1 . . . . . 63 LYS C . 27920 1 252 . 1 . 1 63 63 LYS CA C 13 54.457 0.050 . 1 . . . . . 63 LYS CA . 27920 1 253 . 1 . 1 63 63 LYS CB C 13 32.280 0.050 . 1 . . . . . 63 LYS CB . 27920 1 254 . 1 . 1 63 63 LYS N N 15 126.489 0.050 . 1 . . . . . 63 LYS N . 27920 1 255 . 1 . 1 64 64 VAL H H 1 8.436 0.005 . 1 . . . . . 64 VAL HN . 27920 1 256 . 1 . 1 64 64 VAL C C 13 175.806 0.050 . 1 . . . . . 64 VAL C . 27920 1 257 . 1 . 1 64 64 VAL CA C 13 58.270 0.050 . 1 . . . . . 64 VAL CA . 27920 1 258 . 1 . 1 64 64 VAL CB C 13 34.434 0.050 . 1 . . . . . 64 VAL CB . 27920 1 259 . 1 . 1 64 64 VAL N N 15 116.336 0.050 . 1 . . . . . 64 VAL N . 27920 1 260 . 1 . 1 65 65 SER H H 1 9.028 0.005 . 1 . . . . . 65 SER HN . 27920 1 261 . 1 . 1 65 65 SER C C 13 174.654 0.050 . 1 . . . . . 65 SER C . 27920 1 262 . 1 . 1 65 65 SER CA C 13 57.076 0.050 . 1 . . . . . 65 SER CA . 27920 1 263 . 1 . 1 65 65 SER CB C 13 64.844 0.050 . 1 . . . . . 65 SER CB . 27920 1 264 . 1 . 1 65 65 SER N N 15 119.396 0.050 . 1 . . . . . 65 SER N . 27920 1 265 . 1 . 1 66 66 ALA H H 1 8.927 0.005 . 1 . . . . . 66 ALA HN . 27920 1 266 . 1 . 1 66 66 ALA C C 13 181.087 0.050 . 1 . . . . . 66 ALA C . 27920 1 267 . 1 . 1 66 66 ALA CA C 13 55.092 0.050 . 1 . . . . . 66 ALA CA . 27920 1 268 . 1 . 1 66 66 ALA CB C 13 17.187 0.050 . 1 . . . . . 66 ALA CB . 27920 1 269 . 1 . 1 66 66 ALA N N 15 124.029 0.050 . 1 . . . . . 66 ALA N . 27920 1 270 . 1 . 1 67 67 GLU H H 1 8.596 0.005 . 1 . . . . . 67 GLU HN . 27920 1 271 . 1 . 1 67 67 GLU C C 13 179.495 0.050 . 1 . . . . . 67 GLU C . 27920 1 272 . 1 . 1 67 67 GLU CA C 13 59.393 0.050 . 1 . . . . . 67 GLU CA . 27920 1 273 . 1 . 1 67 67 GLU CB C 13 28.286 0.050 . 1 . . . . . 67 GLU CB . 27920 1 274 . 1 . 1 67 67 GLU N N 15 117.916 0.050 . 1 . . . . . 67 GLU N . 27920 1 275 . 1 . 1 68 68 GLU H H 1 7.895 0.005 . 1 . . . . . 68 GLU HN . 27920 1 276 . 1 . 1 68 68 GLU C C 13 178.747 0.050 . 1 . . . . . 68 GLU C . 27920 1 277 . 1 . 1 68 68 GLU CA C 13 58.672 0.050 . 1 . . . . . 68 GLU CA . 27920 1 278 . 1 . 1 68 68 GLU CB C 13 29.413 0.050 . 1 . . . . . 68 GLU CB . 27920 1 279 . 1 . 1 68 68 GLU N N 15 122.529 0.050 . 1 . . . . . 68 GLU N . 27920 1 280 . 1 . 1 69 69 PHE H H 1 8.894 0.005 . 1 . . . . . 69 PHE HN . 27920 1 281 . 1 . 1 69 69 PHE C C 13 176.837 0.050 . 1 . . . . . 69 PHE C . 27920 1 282 . 1 . 1 69 69 PHE CA C 13 62.028 0.050 . 1 . . . . . 69 PHE CA . 27920 1 283 . 1 . 1 69 69 PHE CB C 13 38.855 0.050 . 1 . . . . . 69 PHE CB . 27920 1 284 . 1 . 1 69 69 PHE N N 15 121.626 0.050 . 1 . . . . . 69 PHE N . 27920 1 285 . 1 . 1 70 70 LYS H H 1 7.645 0.005 . 1 . . . . . 70 LYS HN . 27920 1 286 . 1 . 1 70 70 LYS C C 13 179.939 0.050 . 1 . . . . . 70 LYS C . 27920 1 287 . 1 . 1 70 70 LYS CA C 13 59.255 0.050 . 1 . . . . . 70 LYS CA . 27920 1 288 . 1 . 1 70 70 LYS CB C 13 31.696 0.050 . 1 . . . . . 70 LYS CB . 27920 1 289 . 1 . 1 70 70 LYS N N 15 116.391 0.050 . 1 . . . . . 70 LYS N . 27920 1 290 . 1 . 1 71 71 GLU H H 1 7.737 0.005 . 1 . . . . . 71 GLU HN . 27920 1 291 . 1 . 1 71 71 GLU C C 13 179.183 0.050 . 1 . . . . . 71 GLU C . 27920 1 292 . 1 . 1 71 71 GLU CA C 13 58.648 0.050 . 1 . . . . . 71 GLU CA . 27920 1 293 . 1 . 1 71 71 GLU CB C 13 28.307 0.050 . 1 . . . . . 71 GLU CB . 27920 1 294 . 1 . 1 71 71 GLU N N 15 121.022 0.050 . 1 . . . . . 71 GLU N . 27920 1 295 . 1 . 1 72 72 LEU H H 1 8.474 0.005 . 1 . . . . . 72 LEU HN . 27920 1 296 . 1 . 1 72 72 LEU C C 13 178.282 0.050 . 1 . . . . . 72 LEU C . 27920 1 297 . 1 . 1 72 72 LEU CA C 13 57.485 0.050 . 1 . . . . . 72 LEU CA . 27920 1 298 . 1 . 1 72 72 LEU CB C 13 41.584 0.050 . 1 . . . . . 72 LEU CB . 27920 1 299 . 1 . 1 72 72 LEU N N 15 121.878 0.050 . 1 . . . . . 72 LEU N . 27920 1 300 . 1 . 1 73 73 ALA H H 1 7.998 0.005 . 1 . . . . . 73 ALA HN . 27920 1 301 . 1 . 1 73 73 ALA C C 13 180.288 0.050 . 1 . . . . . 73 ALA C . 27920 1 302 . 1 . 1 73 73 ALA CA C 13 55.105 0.050 . 1 . . . . . 73 ALA CA . 27920 1 303 . 1 . 1 73 73 ALA CB C 13 16.213 0.050 . 1 . . . . . 73 ALA CB . 27920 1 304 . 1 . 1 73 73 ALA N N 15 121.104 0.050 . 1 . . . . . 73 ALA N . 27920 1 305 . 1 . 1 74 74 LYS H H 1 7.663 0.005 . 1 . . . . . 74 LYS HN . 27920 1 306 . 1 . 1 74 74 LYS C C 13 178.639 0.050 . 1 . . . . . 74 LYS C . 27920 1 307 . 1 . 1 74 74 LYS CA C 13 59.176 0.050 . 1 . . . . . 74 LYS CA . 27920 1 308 . 1 . 1 74 74 LYS CB C 13 31.180 0.050 . 1 . . . . . 74 LYS CB . 27920 1 309 . 1 . 1 74 74 LYS N N 15 120.080 0.050 . 1 . . . . . 74 LYS N . 27920 1 310 . 1 . 1 75 75 ARG H H 1 8.273 0.005 . 1 . . . . . 75 ARG HN . 27920 1 311 . 1 . 1 75 75 ARG C C 13 179.158 0.050 . 1 . . . . . 75 ARG C . 27920 1 312 . 1 . 1 75 75 ARG CA C 13 58.834 0.050 . 1 . . . . . 75 ARG CA . 27920 1 313 . 1 . 1 75 75 ARG CB C 13 28.956 0.050 . 1 . . . . . 75 ARG CB . 27920 1 314 . 1 . 1 75 75 ARG N N 15 121.214 0.050 . 1 . . . . . 75 ARG N . 27920 1 315 . 1 . 1 76 76 LYS H H 1 7.895 0.005 . 1 . . . . . 76 LYS HN . 27920 1 316 . 1 . 1 76 76 LYS C C 13 178.835 0.050 . 1 . . . . . 76 LYS C . 27920 1 317 . 1 . 1 76 76 LYS CA C 13 60.353 0.050 . 1 . . . . . 76 LYS CA . 27920 1 318 . 1 . 1 76 76 LYS CB C 13 28.752 0.050 . 1 . . . . . 76 LYS CB . 27920 1 319 . 1 . 1 76 76 LYS N N 15 119.482 0.050 . 1 . . . . . 76 LYS N . 27920 1 320 . 1 . 1 77 77 ASN H H 1 7.512 0.005 . 1 . . . . . 77 ASN HN . 27920 1 321 . 1 . 1 77 77 ASN C C 13 176.576 0.050 . 1 . . . . . 77 ASN C . 27920 1 322 . 1 . 1 77 77 ASN CA C 13 56.474 0.050 . 1 . . . . . 77 ASN CA . 27920 1 323 . 1 . 1 77 77 ASN CB C 13 37.816 0.050 . 1 . . . . . 77 ASN CB . 27920 1 324 . 1 . 1 77 77 ASN N N 15 118.894 0.050 . 1 . . . . . 77 ASN N . 27920 1 325 . 1 . 1 78 78 ASP H H 1 8.676 0.005 . 1 . . . . . 78 ASP HN . 27920 1 326 . 1 . 1 78 78 ASP C C 13 179.428 0.050 . 1 . . . . . 78 ASP C . 27920 1 327 . 1 . 1 78 78 ASP CA C 13 56.998 0.050 . 1 . . . . . 78 ASP CA . 27920 1 328 . 1 . 1 78 78 ASP CB C 13 39.278 0.050 . 1 . . . . . 78 ASP CB . 27920 1 329 . 1 . 1 78 78 ASP N N 15 121.106 0.050 . 1 . . . . . 78 ASP N . 27920 1 330 . 1 . 1 79 79 ASN H H 1 8.353 0.005 . 1 . . . . . 79 ASN HN . 27920 1 331 . 1 . 1 79 79 ASN C C 13 176.733 0.050 . 1 . . . . . 79 ASN C . 27920 1 332 . 1 . 1 79 79 ASN CA C 13 55.010 0.050 . 1 . . . . . 79 ASN CA . 27920 1 333 . 1 . 1 79 79 ASN CB C 13 37.222 0.050 . 1 . . . . . 79 ASN CB . 27920 1 334 . 1 . 1 79 79 ASN N N 15 119.559 0.050 . 1 . . . . . 79 ASN N . 27920 1 335 . 1 . 1 80 80 TYR H H 1 8.285 0.005 . 1 . . . . . 80 TYR HN . 27920 1 336 . 1 . 1 80 80 TYR C C 13 175.645 0.050 . 1 . . . . . 80 TYR C . 27920 1 337 . 1 . 1 80 80 TYR CA C 13 62.011 0.050 . 1 . . . . . 80 TYR CA . 27920 1 338 . 1 . 1 80 80 TYR CB C 13 37.840 0.050 . 1 . . . . . 80 TYR CB . 27920 1 339 . 1 . 1 80 80 TYR N N 15 122.551 0.050 . 1 . . . . . 80 TYR N . 27920 1 340 . 1 . 1 81 81 VAL H H 1 8.263 0.005 . 1 . . . . . 81 VAL HN . 27920 1 341 . 1 . 1 81 81 VAL C C 13 177.800 0.050 . 1 . . . . . 81 VAL C . 27920 1 342 . 1 . 1 81 81 VAL CA C 13 65.809 0.050 . 1 . . . . . 81 VAL CA . 27920 1 343 . 1 . 1 81 81 VAL CB C 13 30.608 0.050 . 1 . . . . . 81 VAL CB . 27920 1 344 . 1 . 1 81 81 VAL N N 15 118.023 0.050 . 1 . . . . . 81 VAL N . 27920 1 345 . 1 . 1 82 82 LYS H H 1 7.285 0.005 . 1 . . . . . 82 LYS HN . 27920 1 346 . 1 . 1 82 82 LYS C C 13 179.929 0.050 . 1 . . . . . 82 LYS C . 27920 1 347 . 1 . 1 82 82 LYS CA C 13 58.624 0.050 . 1 . . . . . 82 LYS CA . 27920 1 348 . 1 . 1 82 82 LYS CB C 13 31.192 0.050 . 1 . . . . . 82 LYS CB . 27920 1 349 . 1 . 1 82 82 LYS N N 15 118.885 0.050 . 1 . . . . . 82 LYS N . 27920 1 350 . 1 . 1 83 83 MET H H 1 8.164 0.005 . 1 . . . . . 83 MET HN . 27920 1 351 . 1 . 1 83 83 MET C C 13 179.381 0.050 . 1 . . . . . 83 MET C . 27920 1 352 . 1 . 1 83 83 MET CA C 13 58.151 0.050 . 1 . . . . . 83 MET CA . 27920 1 353 . 1 . 1 83 83 MET CB C 13 31.606 0.050 . 1 . . . . . 83 MET CB . 27920 1 354 . 1 . 1 83 83 MET N N 15 119.489 0.050 . 1 . . . . . 83 MET N . 27920 1 355 . 1 . 1 84 84 ILE H H 1 7.778 0.005 . 1 . . . . . 84 ILE HN . 27920 1 356 . 1 . 1 84 84 ILE C C 13 176.389 0.050 . 1 . . . . . 84 ILE C . 27920 1 357 . 1 . 1 84 84 ILE CA C 13 63.416 0.050 . 1 . . . . . 84 ILE CA . 27920 1 358 . 1 . 1 84 84 ILE CB C 13 35.724 0.050 . 1 . . . . . 84 ILE CB . 27920 1 359 . 1 . 1 84 84 ILE N N 15 111.185 0.050 . 1 . . . . . 84 ILE N . 27920 1 360 . 1 . 1 85 85 GLN H H 1 7.082 0.005 . 1 . . . . . 85 GLN HN . 27920 1 361 . 1 . 1 85 85 GLN C C 13 176.347 0.050 . 1 . . . . . 85 GLN C . 27920 1 362 . 1 . 1 85 85 GLN CA C 13 57.724 0.050 . 1 . . . . . 85 GLN CA . 27920 1 363 . 1 . 1 85 85 GLN CB C 13 27.395 0.050 . 1 . . . . . 85 GLN CB . 27920 1 364 . 1 . 1 85 85 GLN N N 15 118.833 0.050 . 1 . . . . . 85 GLN N . 27920 1 365 . 1 . 1 86 86 ASP H H 1 7.303 0.005 . 1 . . . . . 86 ASP HN . 27920 1 366 . 1 . 1 86 86 ASP C C 13 177.034 0.050 . 1 . . . . . 86 ASP C . 27920 1 367 . 1 . 1 86 86 ASP CA C 13 54.234 0.050 . 1 . . . . . 86 ASP CA . 27920 1 368 . 1 . 1 86 86 ASP CB C 13 40.824 0.050 . 1 . . . . . 86 ASP CB . 27920 1 369 . 1 . 1 86 86 ASP N N 15 114.434 0.050 . 1 . . . . . 86 ASP N . 27920 1 370 . 1 . 1 87 87 VAL H H 1 7.108 0.005 . 1 . . . . . 87 VAL HN . 27920 1 371 . 1 . 1 87 87 VAL C C 13 173.839 0.050 . 1 . . . . . 87 VAL C . 27920 1 372 . 1 . 1 87 87 VAL CA C 13 63.650 0.050 . 1 . . . . . 87 VAL CA . 27920 1 373 . 1 . 1 87 87 VAL CB C 13 30.081 0.050 . 1 . . . . . 87 VAL CB . 27920 1 374 . 1 . 1 87 87 VAL N N 15 124.366 0.050 . 1 . . . . . 87 VAL N . 27920 1 375 . 1 . 1 88 88 SER H H 1 9.179 0.005 . 1 . . . . . 88 SER HN . 27920 1 376 . 1 . 1 88 88 SER C C 13 173.886 0.050 . 1 . . . . . 88 SER C . 27920 1 377 . 1 . 1 88 88 SER CA C 13 57.240 0.050 . 1 . . . . . 88 SER CA . 27920 1 378 . 1 . 1 88 88 SER CB C 13 65.543 0.050 . 1 . . . . . 88 SER CB . 27920 1 379 . 1 . 1 88 88 SER N N 15 125.242 0.050 . 1 . . . . . 88 SER N . 27920 1 380 . 1 . 1 89 89 PRO C C 13 177.780 0.050 . 1 . . . . . 89 PRO C . 27920 1 381 . 1 . 1 89 89 PRO CA C 13 64.971 0.050 . 1 . . . . . 89 PRO CA . 27920 1 382 . 1 . 1 89 89 PRO CB C 13 30.640 0.050 . 1 . . . . . 89 PRO CB . 27920 1 383 . 1 . 1 90 90 ALA H H 1 7.779 0.005 . 1 . . . . . 90 ALA HN . 27920 1 384 . 1 . 1 90 90 ALA C C 13 178.085 0.050 . 1 . . . . . 90 ALA C . 27920 1 385 . 1 . 1 90 90 ALA CA C 13 53.329 0.050 . 1 . . . . . 90 ALA CA . 27920 1 386 . 1 . 1 90 90 ALA CB C 13 17.524 0.050 . 1 . . . . . 90 ALA CB . 27920 1 387 . 1 . 1 90 90 ALA N N 15 119.822 0.050 . 1 . . . . . 90 ALA N . 27920 1 388 . 1 . 1 91 91 ASP H H 1 8.132 0.005 . 1 . . . . . 91 ASP HN . 27920 1 389 . 1 . 1 91 91 ASP C C 13 177.100 0.050 . 1 . . . . . 91 ASP C . 27920 1 390 . 1 . 1 91 91 ASP CA C 13 55.373 0.050 . 1 . . . . . 91 ASP CA . 27920 1 391 . 1 . 1 91 91 ASP CB C 13 40.995 0.050 . 1 . . . . . 91 ASP CB . 27920 1 392 . 1 . 1 91 91 ASP N N 15 115.567 0.050 . 1 . . . . . 91 ASP N . 27920 1 393 . 1 . 1 92 92 VAL H H 1 7.211 0.005 . 1 . . . . . 92 VAL HN . 27920 1 394 . 1 . 1 92 92 VAL C C 13 176.857 0.050 . 1 . . . . . 92 VAL C . 27920 1 395 . 1 . 1 92 92 VAL CA C 13 63.633 0.050 . 1 . . . . . 92 VAL CA . 27920 1 396 . 1 . 1 92 92 VAL CB C 13 31.063 0.050 . 1 . . . . . 92 VAL CB . 27920 1 397 . 1 . 1 92 92 VAL N N 15 123.484 0.050 . 1 . . . . . 92 VAL N . 27920 1 398 . 1 . 1 93 93 TYR H H 1 8.996 0.005 . 1 . . . . . 93 TYR HN . 27920 1 399 . 1 . 1 93 93 TYR C C 13 175.297 0.050 . 1 . . . . . 93 TYR C . 27920 1 400 . 1 . 1 93 93 TYR CA C 13 54.414 0.050 . 1 . . . . . 93 TYR CA . 27920 1 401 . 1 . 1 93 93 TYR CB C 13 34.758 0.050 . 1 . . . . . 93 TYR CB . 27920 1 402 . 1 . 1 93 93 TYR N N 15 130.833 0.050 . 1 . . . . . 93 TYR N . 27920 1 403 . 1 . 1 94 94 PRO C C 13 177.357 0.050 . 1 . . . . . 94 PRO C . 27920 1 404 . 1 . 1 94 94 PRO CA C 13 63.222 0.050 . 1 . . . . . 94 PRO CA . 27920 1 405 . 1 . 1 94 94 PRO CB C 13 31.280 0.050 . 1 . . . . . 94 PRO CB . 27920 1 406 . 1 . 1 95 95 GLY H H 1 8.464 0.005 . 1 . . . . . 95 GLY HN . 27920 1 407 . 1 . 1 95 95 GLY C C 13 175.928 0.050 . 1 . . . . . 95 GLY C . 27920 1 408 . 1 . 1 95 95 GLY CA C 13 45.787 0.050 . 1 . . . . . 95 GLY CA . 27920 1 409 . 1 . 1 95 95 GLY N N 15 111.359 0.050 . 1 . . . . . 95 GLY N . 27920 1 410 . 1 . 1 96 96 ILE H H 1 7.175 0.005 . 1 . . . . . 96 ILE HN . 27920 1 411 . 1 . 1 96 96 ILE C C 13 176.925 0.050 . 1 . . . . . 96 ILE C . 27920 1 412 . 1 . 1 96 96 ILE CA C 13 61.138 0.050 . 1 . . . . . 96 ILE CA . 27920 1 413 . 1 . 1 96 96 ILE CB C 13 33.825 0.050 . 1 . . . . . 96 ILE CB . 27920 1 414 . 1 . 1 96 96 ILE N N 15 121.456 0.050 . 1 . . . . . 96 ILE N . 27920 1 415 . 1 . 1 97 97 LEU H H 1 8.853 0.005 . 1 . . . . . 97 LEU HN . 27920 1 416 . 1 . 1 97 97 LEU C C 13 177.941 0.050 . 1 . . . . . 97 LEU C . 27920 1 417 . 1 . 1 97 97 LEU CA C 13 58.258 0.050 . 1 . . . . . 97 LEU CA . 27920 1 418 . 1 . 1 97 97 LEU CB C 13 40.345 0.050 . 1 . . . . . 97 LEU CB . 27920 1 419 . 1 . 1 97 97 LEU N N 15 121.173 0.050 . 1 . . . . . 97 LEU N . 27920 1 420 . 1 . 1 98 98 GLN H H 1 8.700 0.005 . 1 . . . . . 98 GLN HN . 27920 1 421 . 1 . 1 98 98 GLN C C 13 177.428 0.050 . 1 . . . . . 98 GLN C . 27920 1 422 . 1 . 1 98 98 GLN CA C 13 57.623 0.050 . 1 . . . . . 98 GLN CA . 27920 1 423 . 1 . 1 98 98 GLN CB C 13 27.548 0.050 . 1 . . . . . 98 GLN CB . 27920 1 424 . 1 . 1 98 98 GLN N N 15 117.634 0.050 . 1 . . . . . 98 GLN N . 27920 1 425 . 1 . 1 99 99 LEU H H 1 7.823 0.005 . 1 . . . . . 99 LEU HN . 27920 1 426 . 1 . 1 99 99 LEU C C 13 178.522 0.050 . 1 . . . . . 99 LEU C . 27920 1 427 . 1 . 1 99 99 LEU CA C 13 57.871 0.050 . 1 . . . . . 99 LEU CA . 27920 1 428 . 1 . 1 99 99 LEU CB C 13 39.873 0.050 . 1 . . . . . 99 LEU CB . 27920 1 429 . 1 . 1 99 99 LEU N N 15 119.728 0.050 . 1 . . . . . 99 LEU N . 27920 1 430 . 1 . 1 100 100 LEU H H 1 8.336 0.005 . 1 . . . . . 100 LEU HN . 27920 1 431 . 1 . 1 100 100 LEU C C 13 179.041 0.050 . 1 . . . . . 100 LEU C . 27920 1 432 . 1 . 1 100 100 LEU CA C 13 57.929 0.050 . 1 . . . . . 100 LEU CA . 27920 1 433 . 1 . 1 100 100 LEU CB C 13 39.593 0.050 . 1 . . . . . 100 LEU CB . 27920 1 434 . 1 . 1 100 100 LEU N N 15 119.041 0.050 . 1 . . . . . 100 LEU N . 27920 1 435 . 1 . 1 101 101 LYS H H 1 7.939 0.005 . 1 . . . . . 101 LYS HN . 27920 1 436 . 1 . 1 101 101 LYS C C 13 180.315 0.050 . 1 . . . . . 101 LYS C . 27920 1 437 . 1 . 1 101 101 LYS CA C 13 60.008 0.050 . 1 . . . . . 101 LYS CA . 27920 1 438 . 1 . 1 101 101 LYS CB C 13 31.995 0.050 . 1 . . . . . 101 LYS CB . 27920 1 439 . 1 . 1 101 101 LYS N N 15 117.724 0.050 . 1 . . . . . 101 LYS N . 27920 1 440 . 1 . 1 102 102 ASP H H 1 8.748 0.005 . 1 . . . . . 102 ASP HN . 27920 1 441 . 1 . 1 102 102 ASP C C 13 179.816 0.050 . 1 . . . . . 102 ASP C . 27920 1 442 . 1 . 1 102 102 ASP CA C 13 57.100 0.050 . 1 . . . . . 102 ASP CA . 27920 1 443 . 1 . 1 102 102 ASP CB C 13 39.535 0.050 . 1 . . . . . 102 ASP CB . 27920 1 444 . 1 . 1 102 102 ASP N N 15 122.519 0.050 . 1 . . . . . 102 ASP N . 27920 1 445 . 1 . 1 103 103 LEU H H 1 9.391 0.005 . 1 . . . . . 103 LEU HN . 27920 1 446 . 1 . 1 103 103 LEU C C 13 179.068 0.050 . 1 . . . . . 103 LEU C . 27920 1 447 . 1 . 1 103 103 LEU CA C 13 58.289 0.050 . 1 . . . . . 103 LEU CA . 27920 1 448 . 1 . 1 103 103 LEU CB C 13 39.926 0.050 . 1 . . . . . 103 LEU CB . 27920 1 449 . 1 . 1 103 103 LEU N N 15 123.618 0.050 . 1 . . . . . 103 LEU N . 27920 1 450 . 1 . 1 104 104 ARG H H 1 8.354 0.005 . 1 . . . . . 104 ARG HN . 27920 1 451 . 1 . 1 104 104 ARG C C 13 181.906 0.050 . 1 . . . . . 104 ARG C . 27920 1 452 . 1 . 1 104 104 ARG CA C 13 59.138 0.050 . 1 . . . . . 104 ARG CA . 27920 1 453 . 1 . 1 104 104 ARG CB C 13 28.483 0.050 . 1 . . . . . 104 ARG CB . 27920 1 454 . 1 . 1 104 104 ARG N N 15 120.070 0.050 . 1 . . . . . 104 ARG N . 27920 1 455 . 1 . 1 105 105 SER H H 1 8.706 0.005 . 1 . . . . . 105 SER HN . 27920 1 456 . 1 . 1 105 105 SER C C 13 175.164 0.050 . 1 . . . . . 105 SER C . 27920 1 457 . 1 . 1 105 105 SER CA C 13 61.188 0.050 . 1 . . . . . 105 SER CA . 27920 1 458 . 1 . 1 105 105 SER CB C 13 62.362 0.050 . 1 . . . . . 105 SER CB . 27920 1 459 . 1 . 1 105 105 SER N N 15 117.156 0.050 . 1 . . . . . 105 SER N . 27920 1 460 . 1 . 1 106 106 ASN H H 1 7.450 0.005 . 1 . . . . . 106 ASN HN . 27920 1 461 . 1 . 1 106 106 ASN C C 13 172.382 0.050 . 1 . . . . . 106 ASN C . 27920 1 462 . 1 . 1 106 106 ASN CA C 13 53.654 0.050 . 1 . . . . . 106 ASN CA . 27920 1 463 . 1 . 1 106 106 ASN CB C 13 39.428 0.050 . 1 . . . . . 106 ASN CB . 27920 1 464 . 1 . 1 106 106 ASN N N 15 118.205 0.050 . 1 . . . . . 106 ASN N . 27920 1 465 . 1 . 1 107 107 LYS H H 1 7.925 0.005 . 1 . . . . . 107 LYS HN . 27920 1 466 . 1 . 1 107 107 LYS C C 13 175.077 0.050 . 1 . . . . . 107 LYS C . 27920 1 467 . 1 . 1 107 107 LYS CA C 13 56.910 0.050 . 1 . . . . . 107 LYS CA . 27920 1 468 . 1 . 1 107 107 LYS CB C 13 27.330 0.050 . 1 . . . . . 107 LYS CB . 27920 1 469 . 1 . 1 107 107 LYS N N 15 114.712 0.050 . 1 . . . . . 107 LYS N . 27920 1 470 . 1 . 1 108 108 ILE H H 1 7.995 0.005 . 1 . . . . . 108 ILE HN . 27920 1 471 . 1 . 1 108 108 ILE C C 13 175.756 0.050 . 1 . . . . . 108 ILE C . 27920 1 472 . 1 . 1 108 108 ILE CA C 13 60.007 0.050 . 1 . . . . . 108 ILE CA . 27920 1 473 . 1 . 1 108 108 ILE CB C 13 36.944 0.050 . 1 . . . . . 108 ILE CB . 27920 1 474 . 1 . 1 108 108 ILE N N 15 122.368 0.050 . 1 . . . . . 108 ILE N . 27920 1 475 . 1 . 1 109 109 LYS H H 1 7.730 0.005 . 1 . . . . . 109 LYS HN . 27920 1 476 . 1 . 1 109 109 LYS C C 13 175.827 0.050 . 1 . . . . . 109 LYS C . 27920 1 477 . 1 . 1 109 109 LYS CA C 13 54.893 0.050 . 1 . . . . . 109 LYS CA . 27920 1 478 . 1 . 1 109 109 LYS CB C 13 32.544 0.050 . 1 . . . . . 109 LYS CB . 27920 1 479 . 1 . 1 109 109 LYS N N 15 125.050 0.050 . 1 . . . . . 109 LYS N . 27920 1 480 . 1 . 1 110 110 ILE H H 1 9.311 0.005 . 1 . . . . . 110 ILE HN . 27920 1 481 . 1 . 1 110 110 ILE C C 13 175.833 0.050 . 1 . . . . . 110 ILE C . 27920 1 482 . 1 . 1 110 110 ILE CA C 13 60.981 0.050 . 1 . . . . . 110 ILE CA . 27920 1 483 . 1 . 1 110 110 ILE CB C 13 40.212 0.050 . 1 . . . . . 110 ILE CB . 27920 1 484 . 1 . 1 110 110 ILE N N 15 122.086 0.050 . 1 . . . . . 110 ILE N . 27920 1 485 . 1 . 1 111 111 ALA H H 1 8.831 0.005 . 1 . . . . . 111 ALA HN . 27920 1 486 . 1 . 1 111 111 ALA C C 13 176.175 0.050 . 1 . . . . . 111 ALA C . 27920 1 487 . 1 . 1 111 111 ALA CA C 13 49.100 0.050 . 1 . . . . . 111 ALA CA . 27920 1 488 . 1 . 1 111 111 ALA CB C 13 23.160 0.050 . 1 . . . . . 111 ALA CB . 27920 1 489 . 1 . 1 111 111 ALA N N 15 127.880 0.050 . 1 . . . . . 111 ALA N . 27920 1 490 . 1 . 1 112 112 LEU H H 1 8.529 0.005 . 1 . . . . . 112 LEU HN . 27920 1 491 . 1 . 1 112 112 LEU C C 13 174.033 0.050 . 1 . . . . . 112 LEU C . 27920 1 492 . 1 . 1 112 112 LEU CA C 13 54.038 0.050 . 1 . . . . . 112 LEU CA . 27920 1 493 . 1 . 1 112 112 LEU CB C 13 42.123 0.050 . 1 . . . . . 112 LEU CB . 27920 1 494 . 1 . 1 112 112 LEU N N 15 123.770 0.050 . 1 . . . . . 112 LEU N . 27920 1 495 . 1 . 1 113 113 ALA H H 1 9.248 0.005 . 1 . . . . . 113 ALA HN . 27920 1 496 . 1 . 1 113 113 ALA C C 13 172.963 0.050 . 1 . . . . . 113 ALA C . 27920 1 497 . 1 . 1 113 113 ALA CA C 13 49.422 0.050 . 1 . . . . . 113 ALA CA . 27920 1 498 . 1 . 1 113 113 ALA CB C 13 19.044 0.050 . 1 . . . . . 113 ALA CB . 27920 1 499 . 1 . 1 113 113 ALA N N 15 134.624 0.050 . 1 . . . . . 113 ALA N . 27920 1 500 . 1 . 1 114 114 SER H H 1 7.172 0.005 . 1 . . . . . 114 SER HN . 27920 1 501 . 1 . 1 114 114 SER C C 13 174.366 0.050 . 1 . . . . . 114 SER C . 27920 1 502 . 1 . 1 114 114 SER CA C 13 55.612 0.050 . 1 . . . . . 114 SER CA . 27920 1 503 . 1 . 1 114 114 SER CB C 13 64.544 0.050 . 1 . . . . . 114 SER CB . 27920 1 504 . 1 . 1 114 114 SER N N 15 110.680 0.050 . 1 . . . . . 114 SER N . 27920 1 505 . 1 . 1 115 115 ALA H H 1 8.957 0.005 . 1 . . . . . 115 ALA HN . 27920 1 506 . 1 . 1 115 115 ALA C C 13 176.964 0.050 . 1 . . . . . 115 ALA C . 27920 1 507 . 1 . 1 115 115 ALA CA C 13 51.568 0.050 . 1 . . . . . 115 ALA CA . 27920 1 508 . 1 . 1 115 115 ALA CB C 13 18.148 0.050 . 1 . . . . . 115 ALA CB . 27920 1 509 . 1 . 1 115 115 ALA N N 15 129.503 0.050 . 1 . . . . . 115 ALA N . 27920 1 510 . 1 . 1 116 116 SER H H 1 8.264 0.005 . 1 . . . . . 116 SER HN . 27920 1 511 . 1 . 1 116 116 SER CA C 13 57.635 0.050 . 1 . . . . . 116 SER CA . 27920 1 512 . 1 . 1 116 116 SER CB C 13 63.526 0.050 . 1 . . . . . 116 SER CB . 27920 1 513 . 1 . 1 116 116 SER N N 15 113.382 0.050 . 1 . . . . . 116 SER N . 27920 1 514 . 1 . 1 118 118 ASN C C 13 174.700 0.050 . 1 . . . . . 118 ASN C . 27920 1 515 . 1 . 1 118 118 ASN CA C 13 53.025 0.050 . 1 . . . . . 118 ASN CA . 27920 1 516 . 1 . 1 118 118 ASN CB C 13 38.662 0.050 . 1 . . . . . 118 ASN CB . 27920 1 517 . 1 . 1 119 119 GLY H H 1 7.549 0.005 . 1 . . . . . 119 GLY HN . 27920 1 518 . 1 . 1 119 119 GLY C C 13 172.160 0.050 . 1 . . . . . 119 GLY C . 27920 1 519 . 1 . 1 119 119 GLY CA C 13 48.294 0.050 . 1 . . . . . 119 GLY CA . 27920 1 520 . 1 . 1 119 119 GLY N N 15 106.257 0.050 . 1 . . . . . 119 GLY N . 27920 1 521 . 1 . 1 120 120 PRO C C 13 179.186 0.050 . 1 . . . . . 120 PRO C . 27920 1 522 . 1 . 1 120 120 PRO CA C 13 65.635 0.050 . 1 . . . . . 120 PRO CA . 27920 1 523 . 1 . 1 120 120 PRO CB C 13 30.561 0.050 . 1 . . . . . 120 PRO CB . 27920 1 524 . 1 . 1 121 121 PHE H H 1 7.706 0.005 . 1 . . . . . 121 PHE HN . 27920 1 525 . 1 . 1 121 121 PHE C C 13 177.325 0.050 . 1 . . . . . 121 PHE C . 27920 1 526 . 1 . 1 121 121 PHE CA C 13 60.401 0.050 . 1 . . . . . 121 PHE CA . 27920 1 527 . 1 . 1 121 121 PHE CB C 13 38.730 0.050 . 1 . . . . . 121 PHE CB . 27920 1 528 . 1 . 1 121 121 PHE N N 15 119.333 0.050 . 1 . . . . . 121 PHE N . 27920 1 529 . 1 . 1 122 122 LEU H H 1 8.220 0.005 . 1 . . . . . 122 LEU HN . 27920 1 530 . 1 . 1 122 122 LEU C C 13 178.766 0.050 . 1 . . . . . 122 LEU C . 27920 1 531 . 1 . 1 122 122 LEU CA C 13 57.675 0.050 . 1 . . . . . 122 LEU CA . 27920 1 532 . 1 . 1 122 122 LEU CB C 13 40.528 0.050 . 1 . . . . . 122 LEU CB . 27920 1 533 . 1 . 1 122 122 LEU N N 15 119.844 0.050 . 1 . . . . . 122 LEU N . 27920 1 534 . 1 . 1 123 123 LEU H H 1 8.275 0.005 . 1 . . . . . 123 LEU HN . 27920 1 535 . 1 . 1 123 123 LEU C C 13 178.944 0.050 . 1 . . . . . 123 LEU C . 27920 1 536 . 1 . 1 123 123 LEU CA C 13 58.138 0.050 . 1 . . . . . 123 LEU CA . 27920 1 537 . 1 . 1 123 123 LEU CB C 13 40.186 0.050 . 1 . . . . . 123 LEU CB . 27920 1 538 . 1 . 1 123 123 LEU N N 15 117.301 0.050 . 1 . . . . . 123 LEU N . 27920 1 539 . 1 . 1 124 124 GLU H H 1 7.580 0.005 . 1 . . . . . 124 GLU HN . 27920 1 540 . 1 . 1 124 124 GLU C C 13 180.881 0.050 . 1 . . . . . 124 GLU C . 27920 1 541 . 1 . 1 124 124 GLU CA C 13 58.711 0.050 . 1 . . . . . 124 GLU CA . 27920 1 542 . 1 . 1 124 124 GLU CB C 13 27.934 0.050 . 1 . . . . . 124 GLU CB . 27920 1 543 . 1 . 1 124 124 GLU N N 15 121.015 0.050 . 1 . . . . . 124 GLU N . 27920 1 544 . 1 . 1 125 125 ARG H H 1 8.059 0.005 . 1 . . . . . 125 ARG HN . 27920 1 545 . 1 . 1 125 125 ARG C C 13 178.411 0.050 . 1 . . . . . 125 ARG C . 27920 1 546 . 1 . 1 125 125 ARG CA C 13 56.739 0.050 . 1 . . . . . 125 ARG CA . 27920 1 547 . 1 . 1 125 125 ARG CB C 13 28.144 0.050 . 1 . . . . . 125 ARG CB . 27920 1 548 . 1 . 1 125 125 ARG N N 15 120.933 0.050 . 1 . . . . . 125 ARG N . 27920 1 549 . 1 . 1 126 126 MET H H 1 7.338 0.005 . 1 . . . . . 126 MET HN . 27920 1 550 . 1 . 1 126 126 MET C C 13 173.601 0.050 . 1 . . . . . 126 MET C . 27920 1 551 . 1 . 1 126 126 MET CA C 13 55.986 0.050 . 1 . . . . . 126 MET CA . 27920 1 552 . 1 . 1 126 126 MET CB C 13 32.506 0.050 . 1 . . . . . 126 MET CB . 27920 1 553 . 1 . 1 126 126 MET N N 15 113.349 0.050 . 1 . . . . . 126 MET N . 27920 1 554 . 1 . 1 127 127 ASN H H 1 8.006 0.005 . 1 . . . . . 127 ASN HN . 27920 1 555 . 1 . 1 127 127 ASN C C 13 175.812 0.050 . 1 . . . . . 127 ASN C . 27920 1 556 . 1 . 1 127 127 ASN CA C 13 53.566 0.050 . 1 . . . . . 127 ASN CA . 27920 1 557 . 1 . 1 127 127 ASN CB C 13 36.586 0.050 . 1 . . . . . 127 ASN CB . 27920 1 558 . 1 . 1 127 127 ASN N N 15 116.825 0.050 . 1 . . . . . 127 ASN N . 27920 1 559 . 1 . 1 128 128 LEU H H 1 8.701 0.005 . 1 . . . . . 128 LEU HN . 27920 1 560 . 1 . 1 128 128 LEU C C 13 177.861 0.050 . 1 . . . . . 128 LEU C . 27920 1 561 . 1 . 1 128 128 LEU CA C 13 53.696 0.050 . 1 . . . . . 128 LEU CA . 27920 1 562 . 1 . 1 128 128 LEU CB C 13 44.311 0.050 . 1 . . . . . 128 LEU CB . 27920 1 563 . 1 . 1 128 128 LEU N N 15 113.968 0.050 . 1 . . . . . 128 LEU N . 27920 1 564 . 1 . 1 129 129 THR H H 1 7.381 0.005 . 1 . . . . . 129 THR HN . 27920 1 565 . 1 . 1 129 129 THR C C 13 176.303 0.050 . 1 . . . . . 129 THR C . 27920 1 566 . 1 . 1 129 129 THR CA C 13 67.052 0.050 . 1 . . . . . 129 THR CA . 27920 1 567 . 1 . 1 129 129 THR CB C 13 68.627 0.050 . 1 . . . . . 129 THR CB . 27920 1 568 . 1 . 1 129 129 THR N N 15 115.581 0.050 . 1 . . . . . 129 THR N . 27920 1 569 . 1 . 1 130 130 GLY H H 1 8.587 0.005 . 1 . . . . . 130 GLY HN . 27920 1 570 . 1 . 1 130 130 GLY C C 13 174.851 0.050 . 1 . . . . . 130 GLY C . 27920 1 571 . 1 . 1 130 130 GLY CA C 13 45.590 0.050 . 1 . . . . . 130 GLY CA . 27920 1 572 . 1 . 1 130 130 GLY N N 15 106.088 0.050 . 1 . . . . . 130 GLY N . 27920 1 573 . 1 . 1 131 131 TYR H H 1 7.775 0.005 . 1 . . . . . 131 TYR HN . 27920 1 574 . 1 . 1 131 131 TYR C C 13 174.573 0.050 . 1 . . . . . 131 TYR C . 27920 1 575 . 1 . 1 131 131 TYR CA C 13 59.554 0.050 . 1 . . . . . 131 TYR CA . 27920 1 576 . 1 . 1 131 131 TYR CB C 13 38.827 0.050 . 1 . . . . . 131 TYR CB . 27920 1 577 . 1 . 1 131 131 TYR N N 15 116.067 0.050 . 1 . . . . . 131 TYR N . 27920 1 578 . 1 . 1 132 132 PHE H H 1 7.369 0.005 . 1 . . . . . 132 PHE HN . 27920 1 579 . 1 . 1 132 132 PHE C C 13 175.806 0.050 . 1 . . . . . 132 PHE C . 27920 1 580 . 1 . 1 132 132 PHE CA C 13 58.289 0.050 . 1 . . . . . 132 PHE CA . 27920 1 581 . 1 . 1 132 132 PHE CB C 13 39.169 0.050 . 1 . . . . . 132 PHE CB . 27920 1 582 . 1 . 1 132 132 PHE N N 15 115.320 0.050 . 1 . . . . . 132 PHE N . 27920 1 583 . 1 . 1 133 133 ASP H H 1 9.203 0.005 . 1 . . . . . 133 ASP HN . 27920 1 584 . 1 . 1 133 133 ASP C C 13 176.300 0.050 . 1 . . . . . 133 ASP C . 27920 1 585 . 1 . 1 133 133 ASP CA C 13 56.515 0.050 . 1 . . . . . 133 ASP CA . 27920 1 586 . 1 . 1 133 133 ASP CB C 13 42.413 0.050 . 1 . . . . . 133 ASP CB . 27920 1 587 . 1 . 1 133 133 ASP N N 15 124.347 0.050 . 1 . . . . . 133 ASP N . 27920 1 588 . 1 . 1 134 134 ALA H H 1 7.665 0.005 . 1 . . . . . 134 ALA HN . 27920 1 589 . 1 . 1 134 134 ALA C C 13 175.399 0.050 . 1 . . . . . 134 ALA C . 27920 1 590 . 1 . 1 134 134 ALA CA C 13 51.819 0.050 . 1 . . . . . 134 ALA CA . 27920 1 591 . 1 . 1 134 134 ALA CB C 13 22.908 0.050 . 1 . . . . . 134 ALA CB . 27920 1 592 . 1 . 1 134 134 ALA N N 15 116.228 0.050 . 1 . . . . . 134 ALA N . 27920 1 593 . 1 . 1 135 135 ILE H H 1 8.589 0.005 . 1 . . . . . 135 ILE HN . 27920 1 594 . 1 . 1 135 135 ILE C C 13 175.329 0.050 . 1 . . . . . 135 ILE C . 27920 1 595 . 1 . 1 135 135 ILE CA C 13 60.437 0.050 . 1 . . . . . 135 ILE CA . 27920 1 596 . 1 . 1 135 135 ILE CB C 13 39.644 0.050 . 1 . . . . . 135 ILE CB . 27920 1 597 . 1 . 1 135 135 ILE N N 15 122.132 0.050 . 1 . . . . . 135 ILE N . 27920 1 598 . 1 . 1 136 136 ALA H H 1 8.295 0.005 . 1 . . . . . 136 ALA HN . 27920 1 599 . 1 . 1 136 136 ALA C C 13 176.255 0.050 . 1 . . . . . 136 ALA C . 27920 1 600 . 1 . 1 136 136 ALA CA C 13 52.184 0.050 . 1 . . . . . 136 ALA CA . 27920 1 601 . 1 . 1 136 136 ALA CB C 13 18.358 0.050 . 1 . . . . . 136 ALA CB . 27920 1 602 . 1 . 1 136 136 ALA N N 15 129.789 0.050 . 1 . . . . . 136 ALA N . 27920 1 603 . 1 . 1 137 137 ASP H H 1 8.483 0.005 . 1 . . . . . 137 ASP HN . 27920 1 604 . 1 . 1 137 137 ASP C C 13 175.503 0.050 . 1 . . . . . 137 ASP C . 27920 1 605 . 1 . 1 137 137 ASP CA C 13 51.170 0.050 . 1 . . . . . 137 ASP CA . 27920 1 606 . 1 . 1 137 137 ASP CB C 13 41.034 0.050 . 1 . . . . . 137 ASP CB . 27920 1 607 . 1 . 1 137 137 ASP N N 15 122.760 0.050 . 1 . . . . . 137 ASP N . 27920 1 608 . 1 . 1 138 138 PRO C C 13 177.373 0.050 . 1 . . . . . 138 PRO C . 27920 1 609 . 1 . 1 138 138 PRO CA C 13 63.291 0.050 . 1 . . . . . 138 PRO CA . 27920 1 610 . 1 . 1 138 138 PRO CB C 13 31.224 0.050 . 1 . . . . . 138 PRO CB . 27920 1 611 . 1 . 1 139 139 ALA H H 1 8.332 0.005 . 1 . . . . . 139 ALA HN . 27920 1 612 . 1 . 1 139 139 ALA C C 13 178.894 0.050 . 1 . . . . . 139 ALA C . 27920 1 613 . 1 . 1 139 139 ALA CA C 13 52.989 0.050 . 1 . . . . . 139 ALA CA . 27920 1 614 . 1 . 1 139 139 ALA CB C 13 18.113 0.050 . 1 . . . . . 139 ALA CB . 27920 1 615 . 1 . 1 139 139 ALA N N 15 122.559 0.050 . 1 . . . . . 139 ALA N . 27920 1 616 . 1 . 1 140 140 GLU H H 1 7.986 0.005 . 1 . . . . . 140 GLU HN . 27920 1 617 . 1 . 1 140 140 GLU C C 13 177.406 0.050 . 1 . . . . . 140 GLU C . 27920 1 618 . 1 . 1 140 140 GLU CA C 13 56.762 0.050 . 1 . . . . . 140 GLU CA . 27920 1 619 . 1 . 1 140 140 GLU CB C 13 29.230 0.050 . 1 . . . . . 140 GLU CB . 27920 1 620 . 1 . 1 140 140 GLU N N 15 118.996 0.050 . 1 . . . . . 140 GLU N . 27920 1 621 . 1 . 1 141 141 VAL H H 1 7.715 0.005 . 1 . . . . . 141 VAL HN . 27920 1 622 . 1 . 1 141 141 VAL C C 13 176.394 0.050 . 1 . . . . . 141 VAL C . 27920 1 623 . 1 . 1 141 141 VAL CA C 13 62.123 0.050 . 1 . . . . . 141 VAL CA . 27920 1 624 . 1 . 1 141 141 VAL CB C 13 31.508 0.050 . 1 . . . . . 141 VAL CB . 27920 1 625 . 1 . 1 141 141 VAL N N 15 118.547 0.050 . 1 . . . . . 141 VAL N . 27920 1 626 . 1 . 1 142 142 ALA H H 1 8.115 0.005 . 1 . . . . . 142 ALA HN . 27920 1 627 . 1 . 1 142 142 ALA C C 13 177.751 0.050 . 1 . . . . . 142 ALA C . 27920 1 628 . 1 . 1 142 142 ALA CA C 13 52.596 0.050 . 1 . . . . . 142 ALA CA . 27920 1 629 . 1 . 1 142 142 ALA CB C 13 18.127 0.050 . 1 . . . . . 142 ALA CB . 27920 1 630 . 1 . 1 142 142 ALA N N 15 125.770 0.050 . 1 . . . . . 142 ALA N . 27920 1 631 . 1 . 1 143 143 ALA H H 1 7.975 0.005 . 1 . . . . . 143 ALA HN . 27920 1 632 . 1 . 1 143 143 ALA C C 13 177.903 0.050 . 1 . . . . . 143 ALA C . 27920 1 633 . 1 . 1 143 143 ALA CA C 13 52.307 0.050 . 1 . . . . . 143 ALA CA . 27920 1 634 . 1 . 1 143 143 ALA CB C 13 18.158 0.050 . 1 . . . . . 143 ALA CB . 27920 1 635 . 1 . 1 143 143 ALA N N 15 121.734 0.050 . 1 . . . . . 143 ALA N . 27920 1 636 . 1 . 1 144 144 SER H H 1 7.961 0.005 . 1 . . . . . 144 SER HN . 27920 1 637 . 1 . 1 144 144 SER C C 13 174.752 0.050 . 1 . . . . . 144 SER C . 27920 1 638 . 1 . 1 144 144 SER CA C 13 58.228 0.050 . 1 . . . . . 144 SER CA . 27920 1 639 . 1 . 1 144 144 SER CB C 13 63.114 0.050 . 1 . . . . . 144 SER CB . 27920 1 640 . 1 . 1 144 144 SER N N 15 113.772 0.050 . 1 . . . . . 144 SER N . 27920 1 641 . 1 . 1 145 145 LYS H H 1 8.163 0.005 . 1 . . . . . 145 LYS HN . 27920 1 642 . 1 . 1 145 145 LYS C C 13 175.814 0.050 . 1 . . . . . 145 LYS C . 27920 1 643 . 1 . 1 145 145 LYS CA C 13 56.066 0.050 . 1 . . . . . 145 LYS CA . 27920 1 644 . 1 . 1 145 145 LYS CB C 13 32.038 0.050 . 1 . . . . . 145 LYS CB . 27920 1 645 . 1 . 1 145 145 LYS N N 15 122.855 0.050 . 1 . . . . . 145 LYS N . 27920 1 646 . 1 . 1 146 146 ALA H H 1 8.215 0.005 . 1 . . . . . 146 ALA HN . 27920 1 647 . 1 . 1 146 146 ALA C C 13 176.915 0.050 . 1 . . . . . 146 ALA C . 27920 1 648 . 1 . 1 146 146 ALA CA C 13 51.517 0.050 . 1 . . . . . 146 ALA CA . 27920 1 649 . 1 . 1 146 146 ALA CB C 13 18.852 0.050 . 1 . . . . . 146 ALA CB . 27920 1 650 . 1 . 1 146 146 ALA N N 15 123.494 0.050 . 1 . . . . . 146 ALA N . 27920 1 651 . 1 . 1 147 147 ALA H H 1 8.215 0.005 . 1 . . . . . 147 ALA HN . 27920 1 652 . 1 . 1 147 147 ALA C C 13 176.553 0.050 . 1 . . . . . 147 ALA C . 27920 1 653 . 1 . 1 147 147 ALA CA C 13 52.693 0.050 . 1 . . . . . 147 ALA CA . 27920 1 654 . 1 . 1 147 147 ALA CB C 13 17.498 0.050 . 1 . . . . . 147 ALA CB . 27920 1 655 . 1 . 1 147 147 ALA N N 15 124.209 0.050 . 1 . . . . . 147 ALA N . 27920 1 656 . 1 . 1 148 148 PRO C C 13 177.580 0.050 . 1 . . . . . 148 PRO C . 27920 1 657 . 1 . 1 148 148 PRO CA C 13 64.616 0.050 . 1 . . . . . 148 PRO CA . 27920 1 658 . 1 . 1 148 148 PRO CB C 13 30.605 0.050 . 1 . . . . . 148 PRO CB . 27920 1 659 . 1 . 1 149 149 ASP H H 1 8.116 0.005 . 1 . . . . . 149 ASP HN . 27920 1 660 . 1 . 1 149 149 ASP C C 13 178.330 0.050 . 1 . . . . . 149 ASP C . 27920 1 661 . 1 . 1 149 149 ASP CA C 13 56.681 0.050 . 1 . . . . . 149 ASP CA . 27920 1 662 . 1 . 1 149 149 ASP CB C 13 39.703 0.050 . 1 . . . . . 149 ASP CB . 27920 1 663 . 1 . 1 149 149 ASP N N 15 116.448 0.050 . 1 . . . . . 149 ASP N . 27920 1 664 . 1 . 1 150 150 ILE H H 1 7.976 0.005 . 1 . . . . . 150 ILE HN . 27920 1 665 . 1 . 1 150 150 ILE C C 13 176.662 0.050 . 1 . . . . . 150 ILE C . 27920 1 666 . 1 . 1 150 150 ILE CA C 13 62.727 0.050 . 1 . . . . . 150 ILE CA . 27920 1 667 . 1 . 1 150 150 ILE CB C 13 36.957 0.050 . 1 . . . . . 150 ILE CB . 27920 1 668 . 1 . 1 150 150 ILE N N 15 120.374 0.050 . 1 . . . . . 150 ILE N . 27920 1 669 . 1 . 1 151 151 PHE H H 1 7.168 0.005 . 1 . . . . . 151 PHE HN . 27920 1 670 . 1 . 1 151 151 PHE C C 13 177.730 0.050 . 1 . . . . . 151 PHE C . 27920 1 671 . 1 . 1 151 151 PHE CA C 13 62.727 0.050 . 1 . . . . . 151 PHE CA . 27920 1 672 . 1 . 1 151 151 PHE CB C 13 37.844 0.050 . 1 . . . . . 151 PHE CB . 27920 1 673 . 1 . 1 151 151 PHE N N 15 120.768 0.050 . 1 . . . . . 151 PHE N . 27920 1 674 . 1 . 1 152 152 ILE H H 1 8.004 0.005 . 1 . . . . . 152 ILE HN . 27920 1 675 . 1 . 1 152 152 ILE C C 13 177.822 0.050 . 1 . . . . . 152 ILE C . 27920 1 676 . 1 . 1 152 152 ILE CA C 13 65.611 0.050 . 1 . . . . . 152 ILE CA . 27920 1 677 . 1 . 1 152 152 ILE CB C 13 37.431 0.050 . 1 . . . . . 152 ILE CB . 27920 1 678 . 1 . 1 152 152 ILE N N 15 120.258 0.050 . 1 . . . . . 152 ILE N . 27920 1 679 . 1 . 1 153 153 ALA H H 1 8.215 0.005 . 1 . . . . . 153 ALA HN . 27920 1 680 . 1 . 1 153 153 ALA C C 13 180.967 0.050 . 1 . . . . . 153 ALA C . 27920 1 681 . 1 . 1 153 153 ALA CA C 13 54.360 0.050 . 1 . . . . . 153 ALA CA . 27920 1 682 . 1 . 1 153 153 ALA CB C 13 17.274 0.050 . 1 . . . . . 153 ALA CB . 27920 1 683 . 1 . 1 153 153 ALA N N 15 120.296 0.050 . 1 . . . . . 153 ALA N . 27920 1 684 . 1 . 1 154 154 ALA H H 1 7.780 0.005 . 1 . . . . . 154 ALA HN . 27920 1 685 . 1 . 1 154 154 ALA C C 13 176.983 0.050 . 1 . . . . . 154 ALA C . 27920 1 686 . 1 . 1 154 154 ALA CA C 13 54.798 0.050 . 1 . . . . . 154 ALA CA . 27920 1 687 . 1 . 1 154 154 ALA CB C 13 18.214 0.050 . 1 . . . . . 154 ALA CB . 27920 1 688 . 1 . 1 154 154 ALA N N 15 122.461 0.050 . 1 . . . . . 154 ALA N . 27920 1 689 . 1 . 1 155 155 ALA H H 1 7.604 0.005 . 1 . . . . . 155 ALA HN . 27920 1 690 . 1 . 1 155 155 ALA C C 13 179.803 0.050 . 1 . . . . . 155 ALA C . 27920 1 691 . 1 . 1 155 155 ALA CA C 13 54.346 0.050 . 1 . . . . . 155 ALA CA . 27920 1 692 . 1 . 1 155 155 ALA CB C 13 15.862 0.050 . 1 . . . . . 155 ALA CB . 27920 1 693 . 1 . 1 155 155 ALA N N 15 118.975 0.050 . 1 . . . . . 155 ALA N . 27920 1 694 . 1 . 1 156 156 HIS H H 1 8.424 0.005 . 1 . . . . . 156 HIS HN . 27920 1 695 . 1 . 1 156 156 HIS C C 13 179.726 0.050 . 1 . . . . . 156 HIS C . 27920 1 696 . 1 . 1 156 156 HIS CA C 13 58.209 0.050 . 1 . . . . . 156 HIS CA . 27920 1 697 . 1 . 1 156 156 HIS CB C 13 29.017 0.050 . 1 . . . . . 156 HIS CB . 27920 1 698 . 1 . 1 156 156 HIS N N 15 116.626 0.050 . 1 . . . . . 156 HIS N . 27920 1 699 . 1 . 1 157 157 ALA H H 1 8.321 0.005 . 1 . . . . . 157 ALA HN . 27920 1 700 . 1 . 1 157 157 ALA C C 13 179.397 0.050 . 1 . . . . . 157 ALA C . 27920 1 701 . 1 . 1 157 157 ALA CA C 13 54.193 0.050 . 1 . . . . . 157 ALA CA . 27920 1 702 . 1 . 1 157 157 ALA CB C 13 17.495 0.050 . 1 . . . . . 157 ALA CB . 27920 1 703 . 1 . 1 157 157 ALA N N 15 122.238 0.050 . 1 . . . . . 157 ALA N . 27920 1 704 . 1 . 1 158 158 VAL H H 1 7.289 0.005 . 1 . . . . . 158 VAL HN . 27920 1 705 . 1 . 1 158 158 VAL C C 13 175.535 0.050 . 1 . . . . . 158 VAL C . 27920 1 706 . 1 . 1 158 158 VAL CA C 13 59.491 0.050 . 1 . . . . . 158 VAL CA . 27920 1 707 . 1 . 1 158 158 VAL CB C 13 30.436 0.050 . 1 . . . . . 158 VAL CB . 27920 1 708 . 1 . 1 158 158 VAL N N 15 107.764 0.050 . 1 . . . . . 158 VAL N . 27920 1 709 . 1 . 1 159 159 GLY H H 1 7.818 0.005 . 1 . . . . . 159 GLY HN . 27920 1 710 . 1 . 1 159 159 GLY C C 13 174.637 0.050 . 1 . . . . . 159 GLY C . 27920 1 711 . 1 . 1 159 159 GLY CA C 13 45.997 0.050 . 1 . . . . . 159 GLY CA . 27920 1 712 . 1 . 1 159 159 GLY N N 15 110.210 0.050 . 1 . . . . . 159 GLY N . 27920 1 713 . 1 . 1 160 160 VAL H H 1 7.737 0.005 . 1 . . . . . 160 VAL HN . 27920 1 714 . 1 . 1 160 160 VAL C C 13 174.141 0.050 . 1 . . . . . 160 VAL C . 27920 1 715 . 1 . 1 160 160 VAL CA C 13 58.922 0.050 . 1 . . . . . 160 VAL CA . 27920 1 716 . 1 . 1 160 160 VAL CB C 13 33.892 0.050 . 1 . . . . . 160 VAL CB . 27920 1 717 . 1 . 1 160 160 VAL N N 15 116.891 0.050 . 1 . . . . . 160 VAL N . 27920 1 718 . 1 . 1 161 161 ALA H H 1 8.678 0.005 . 1 . . . . . 161 ALA HN . 27920 1 719 . 1 . 1 161 161 ALA C C 13 178.746 0.050 . 1 . . . . . 161 ALA C . 27920 1 720 . 1 . 1 161 161 ALA CA C 13 49.538 0.050 . 1 . . . . . 161 ALA CA . 27920 1 721 . 1 . 1 161 161 ALA CB C 13 17.206 0.050 . 1 . . . . . 161 ALA CB . 27920 1 722 . 1 . 1 161 161 ALA N N 15 125.537 0.050 . 1 . . . . . 161 ALA N . 27920 1 723 . 1 . 1 162 162 PRO C C 13 177.523 0.050 . 1 . . . . . 162 PRO C . 27920 1 724 . 1 . 1 162 162 PRO CA C 13 65.788 0.050 . 1 . . . . . 162 PRO CA . 27920 1 725 . 1 . 1 162 162 PRO CB C 13 30.974 0.050 . 1 . . . . . 162 PRO CB . 27920 1 726 . 1 . 1 163 163 SER H H 1 7.731 0.005 . 1 . . . . . 163 SER HN . 27920 1 727 . 1 . 1 163 163 SER C C 13 175.969 0.050 . 1 . . . . . 163 SER C . 27920 1 728 . 1 . 1 163 163 SER CA C 13 59.809 0.050 . 1 . . . . . 163 SER CA . 27920 1 729 . 1 . 1 163 163 SER CB C 13 61.870 0.050 . 1 . . . . . 163 SER CB . 27920 1 730 . 1 . 1 163 163 SER N N 15 106.656 0.050 . 1 . . . . . 163 SER N . 27920 1 731 . 1 . 1 164 164 GLU H H 1 7.859 0.005 . 1 . . . . . 164 GLU HN . 27920 1 732 . 1 . 1 164 164 GLU C C 13 174.798 0.050 . 1 . . . . . 164 GLU C . 27920 1 733 . 1 . 1 164 164 GLU CA C 13 55.539 0.050 . 1 . . . . . 164 GLU CA . 27920 1 734 . 1 . 1 164 164 GLU CB C 13 29.276 0.050 . 1 . . . . . 164 GLU CB . 27920 1 735 . 1 . 1 164 164 GLU N N 15 121.724 0.050 . 1 . . . . . 164 GLU N . 27920 1 736 . 1 . 1 165 165 SER H H 1 8.049 0.005 . 1 . . . . . 165 SER HN . 27920 1 737 . 1 . 1 165 165 SER C C 13 172.125 0.050 . 1 . . . . . 165 SER C . 27920 1 738 . 1 . 1 165 165 SER CA C 13 57.591 0.050 . 1 . . . . . 165 SER CA . 27920 1 739 . 1 . 1 165 165 SER CB C 13 65.403 0.050 . 1 . . . . . 165 SER CB . 27920 1 740 . 1 . 1 165 165 SER N N 15 114.907 0.050 . 1 . . . . . 165 SER N . 27920 1 741 . 1 . 1 166 166 ILE H H 1 7.744 0.005 . 1 . . . . . 166 ILE HN . 27920 1 742 . 1 . 1 166 166 ILE C C 13 175.349 0.050 . 1 . . . . . 166 ILE C . 27920 1 743 . 1 . 1 166 166 ILE CA C 13 58.838 0.050 . 1 . . . . . 166 ILE CA . 27920 1 744 . 1 . 1 166 166 ILE CB C 13 40.709 0.050 . 1 . . . . . 166 ILE CB . 27920 1 745 . 1 . 1 166 166 ILE N N 15 121.796 0.050 . 1 . . . . . 166 ILE N . 27920 1 746 . 1 . 1 167 167 GLY H H 1 8.702 0.005 . 1 . . . . . 167 GLY HN . 27920 1 747 . 1 . 1 167 167 GLY C C 13 170.369 0.050 . 1 . . . . . 167 GLY C . 27920 1 748 . 1 . 1 167 167 GLY CA C 13 43.349 0.050 . 1 . . . . . 167 GLY CA . 27920 1 749 . 1 . 1 167 167 GLY N N 15 112.328 0.050 . 1 . . . . . 167 GLY N . 27920 1 750 . 1 . 1 168 168 LEU H H 1 7.970 0.005 . 1 . . . . . 168 LEU HN . 27920 1 751 . 1 . 1 168 168 LEU C C 13 175.139 0.050 . 1 . . . . . 168 LEU C . 27920 1 752 . 1 . 1 168 168 LEU CA C 13 53.486 0.050 . 1 . . . . . 168 LEU CA . 27920 1 753 . 1 . 1 168 168 LEU CB C 13 40.922 0.050 . 1 . . . . . 168 LEU CB . 27920 1 754 . 1 . 1 168 168 LEU N N 15 123.469 0.050 . 1 . . . . . 168 LEU N . 27920 1 755 . 1 . 1 169 169 GLU H H 1 6.897 0.005 . 1 . . . . . 169 GLU HN . 27920 1 756 . 1 . 1 169 169 GLU C C 13 174.708 0.050 . 1 . . . . . 169 GLU C . 27920 1 757 . 1 . 1 169 169 GLU CA C 13 57.555 0.050 . 1 . . . . . 169 GLU CA . 27920 1 758 . 1 . 1 169 169 GLU N N 15 123.988 0.050 . 1 . . . . . 169 GLU N . 27920 1 759 . 1 . 1 171 171 SER C C 13 173.928 0.050 . 1 . . . . . 171 SER C . 27920 1 760 . 1 . 1 171 171 SER CA C 13 56.178 0.050 . 1 . . . . . 171 SER CA . 27920 1 761 . 1 . 1 171 171 SER CB C 13 66.988 0.050 . 1 . . . . . 171 SER CB . 27920 1 762 . 1 . 1 172 172 GLN H H 1 9.198 0.005 . 1 . . . . . 172 GLN HN . 27920 1 763 . 1 . 1 172 172 GLN C C 13 178.445 0.050 . 1 . . . . . 172 GLN C . 27920 1 764 . 1 . 1 172 172 GLN CA C 13 59.760 0.050 . 1 . . . . . 172 GLN CA . 27920 1 765 . 1 . 1 172 172 GLN CB C 13 27.332 0.050 . 1 . . . . . 172 GLN CB . 27920 1 766 . 1 . 1 172 172 GLN N N 15 126.002 0.050 . 1 . . . . . 172 GLN N . 27920 1 767 . 1 . 1 173 173 ALA H H 1 8.884 0.005 . 1 . . . . . 173 ALA HN . 27920 1 768 . 1 . 1 173 173 ALA C C 13 180.877 0.050 . 1 . . . . . 173 ALA C . 27920 1 769 . 1 . 1 173 173 ALA CA C 13 54.334 0.050 . 1 . . . . . 173 ALA CA . 27920 1 770 . 1 . 1 173 173 ALA CB C 13 17.185 0.050 . 1 . . . . . 173 ALA CB . 27920 1 771 . 1 . 1 173 173 ALA N N 15 120.963 0.050 . 1 . . . . . 173 ALA N . 27920 1 772 . 1 . 1 174 174 GLY H H 1 7.888 0.005 . 1 . . . . . 174 GLY HN . 27920 1 773 . 1 . 1 174 174 GLY C C 13 175.387 0.050 . 1 . . . . . 174 GLY C . 27920 1 774 . 1 . 1 174 174 GLY CA C 13 45.792 0.050 . 1 . . . . . 174 GLY CA . 27920 1 775 . 1 . 1 174 174 GLY N N 15 108.381 0.050 . 1 . . . . . 174 GLY N . 27920 1 776 . 1 . 1 175 175 ILE H H 1 8.195 0.005 . 1 . . . . . 175 ILE HN . 27920 1 777 . 1 . 1 175 175 ILE C C 13 177.918 0.050 . 1 . . . . . 175 ILE C . 27920 1 778 . 1 . 1 175 175 ILE CA C 13 62.691 0.050 . 1 . . . . . 175 ILE CA . 27920 1 779 . 1 . 1 175 175 ILE CB C 13 34.878 0.050 . 1 . . . . . 175 ILE CB . 27920 1 780 . 1 . 1 175 175 ILE N N 15 122.846 0.050 . 1 . . . . . 175 ILE N . 27920 1 781 . 1 . 1 176 176 GLN H H 1 7.932 0.005 . 1 . . . . . 176 GLN HN . 27920 1 782 . 1 . 1 176 176 GLN C C 13 177.094 0.050 . 1 . . . . . 176 GLN C . 27920 1 783 . 1 . 1 176 176 GLN CA C 13 57.871 0.050 . 1 . . . . . 176 GLN CA . 27920 1 784 . 1 . 1 176 176 GLN CB C 13 27.061 0.050 . 1 . . . . . 176 GLN CB . 27920 1 785 . 1 . 1 176 176 GLN N N 15 119.516 0.050 . 1 . . . . . 176 GLN N . 27920 1 786 . 1 . 1 177 177 ALA H H 1 7.795 0.005 . 1 . . . . . 177 ALA HN . 27920 1 787 . 1 . 1 177 177 ALA C C 13 179.990 0.050 . 1 . . . . . 177 ALA C . 27920 1 788 . 1 . 1 177 177 ALA CA C 13 54.766 0.050 . 1 . . . . . 177 ALA CA . 27920 1 789 . 1 . 1 177 177 ALA CB C 13 17.534 0.050 . 1 . . . . . 177 ALA CB . 27920 1 790 . 1 . 1 177 177 ALA N N 15 122.290 0.050 . 1 . . . . . 177 ALA N . 27920 1 791 . 1 . 1 178 178 ILE H H 1 7.966 0.005 . 1 . . . . . 178 ILE HN . 27920 1 792 . 1 . 1 178 178 ILE C C 13 180.002 0.050 . 1 . . . . . 178 ILE C . 27920 1 793 . 1 . 1 178 178 ILE CA C 13 64.948 0.050 . 1 . . . . . 178 ILE CA . 27920 1 794 . 1 . 1 178 178 ILE CB C 13 36.336 0.050 . 1 . . . . . 178 ILE CB . 27920 1 795 . 1 . 1 178 178 ILE N N 15 118.981 0.050 . 1 . . . . . 178 ILE N . 27920 1 796 . 1 . 1 179 179 LYS H H 1 8.338 0.005 . 1 . . . . . 179 LYS HN . 27920 1 797 . 1 . 1 179 179 LYS C C 13 181.030 0.050 . 1 . . . . . 179 LYS C . 27920 1 798 . 1 . 1 179 179 LYS CA C 13 59.578 0.050 . 1 . . . . . 179 LYS CA . 27920 1 799 . 1 . 1 179 179 LYS CB C 13 31.538 0.050 . 1 . . . . . 179 LYS CB . 27920 1 800 . 1 . 1 179 179 LYS N N 15 121.172 0.050 . 1 . . . . . 179 LYS N . 27920 1 801 . 1 . 1 180 180 ASP H H 1 8.810 0.005 . 1 . . . . . 180 ASP HN . 27920 1 802 . 1 . 1 180 180 ASP C C 13 178.145 0.050 . 1 . . . . . 180 ASP C . 27920 1 803 . 1 . 1 180 180 ASP CA C 13 56.663 0.050 . 1 . . . . . 180 ASP CA . 27920 1 804 . 1 . 1 180 180 ASP CB C 13 39.583 0.050 . 1 . . . . . 180 ASP CB . 27920 1 805 . 1 . 1 180 180 ASP N N 15 120.627 0.050 . 1 . . . . . 180 ASP N . 27920 1 806 . 1 . 1 181 181 SER H H 1 8.031 0.005 . 1 . . . . . 181 SER HN . 27920 1 807 . 1 . 1 181 181 SER C C 13 173.747 0.050 . 1 . . . . . 181 SER C . 27920 1 808 . 1 . 1 181 181 SER CA C 13 60.552 0.050 . 1 . . . . . 181 SER CA . 27920 1 809 . 1 . 1 181 181 SER CB C 13 64.491 0.050 . 1 . . . . . 181 SER CB . 27920 1 810 . 1 . 1 181 181 SER N N 15 116.287 0.050 . 1 . . . . . 181 SER N . 27920 1 811 . 1 . 1 182 182 GLY H H 1 7.422 0.005 . 1 . . . . . 182 GLY HN . 27920 1 812 . 1 . 1 182 182 GLY C C 13 173.419 0.050 . 1 . . . . . 182 GLY C . 27920 1 813 . 1 . 1 182 182 GLY CA C 13 43.963 0.050 . 1 . . . . . 182 GLY CA . 27920 1 814 . 1 . 1 182 182 GLY N N 15 108.696 0.050 . 1 . . . . . 182 GLY N . 27920 1 815 . 1 . 1 183 183 ALA H H 1 7.123 0.005 . 1 . . . . . 183 ALA HN . 27920 1 816 . 1 . 1 183 183 ALA C C 13 174.940 0.050 . 1 . . . . . 183 ALA C . 27920 1 817 . 1 . 1 183 183 ALA CA C 13 50.733 0.050 . 1 . . . . . 183 ALA CA . 27920 1 818 . 1 . 1 183 183 ALA CB C 13 19.629 0.050 . 1 . . . . . 183 ALA CB . 27920 1 819 . 1 . 1 183 183 ALA N N 15 124.222 0.050 . 1 . . . . . 183 ALA N . 27920 1 820 . 1 . 1 184 184 LEU H H 1 8.154 0.005 . 1 . . . . . 184 LEU HN . 27920 1 821 . 1 . 1 184 184 LEU C C 13 175.749 0.050 . 1 . . . . . 184 LEU C . 27920 1 822 . 1 . 1 184 184 LEU CA C 13 51.628 0.050 . 1 . . . . . 184 LEU CA . 27920 1 823 . 1 . 1 184 184 LEU CB C 13 43.258 0.050 . 1 . . . . . 184 LEU CB . 27920 1 824 . 1 . 1 184 184 LEU N N 15 122.621 0.050 . 1 . . . . . 184 LEU N . 27920 1 825 . 1 . 1 185 185 PRO C C 13 176.510 0.050 . 1 . . . . . 185 PRO C . 27920 1 826 . 1 . 1 185 185 PRO CA C 13 61.124 0.050 . 1 . . . . . 185 PRO CA . 27920 1 827 . 1 . 1 185 185 PRO CB C 13 31.950 0.050 . 1 . . . . . 185 PRO CB . 27920 1 828 . 1 . 1 186 186 ILE H H 1 8.265 0.005 . 1 . . . . . 186 ILE HN . 27920 1 829 . 1 . 1 186 186 ILE C C 13 178.491 0.050 . 1 . . . . . 186 ILE C . 27920 1 830 . 1 . 1 186 186 ILE CA C 13 61.479 0.050 . 1 . . . . . 186 ILE CA . 27920 1 831 . 1 . 1 186 186 ILE CB C 13 38.158 0.050 . 1 . . . . . 186 ILE CB . 27920 1 832 . 1 . 1 186 186 ILE N N 15 119.188 0.050 . 1 . . . . . 186 ILE N . 27920 1 833 . 1 . 1 187 187 GLY H H 1 8.908 0.005 . 1 . . . . . 187 GLY HN . 27920 1 834 . 1 . 1 187 187 GLY C C 13 171.106 0.050 . 1 . . . . . 187 GLY C . 27920 1 835 . 1 . 1 187 187 GLY CA C 13 44.945 0.050 . 1 . . . . . 187 GLY CA . 27920 1 836 . 1 . 1 187 187 GLY N N 15 115.661 0.050 . 1 . . . . . 187 GLY N . 27920 1 837 . 1 . 1 188 188 VAL H H 1 7.772 0.005 . 1 . . . . . 188 VAL HN . 27920 1 838 . 1 . 1 188 188 VAL C C 13 174.002 0.050 . 1 . . . . . 188 VAL C . 27920 1 839 . 1 . 1 188 188 VAL CA C 13 57.154 0.050 . 1 . . . . . 188 VAL CA . 27920 1 840 . 1 . 1 188 188 VAL CB C 13 32.001 0.050 . 1 . . . . . 188 VAL CB . 27920 1 841 . 1 . 1 188 188 VAL N N 15 118.248 0.050 . 1 . . . . . 188 VAL N . 27920 1 842 . 1 . 1 189 189 GLY H H 1 8.387 0.005 . 1 . . . . . 189 GLY HN . 27920 1 843 . 1 . 1 189 189 GLY C C 13 171.061 0.050 . 1 . . . . . 189 GLY C . 27920 1 844 . 1 . 1 189 189 GLY CA C 13 44.066 0.050 . 1 . . . . . 189 GLY CA . 27920 1 845 . 1 . 1 189 189 GLY N N 15 113.627 0.050 . 1 . . . . . 189 GLY N . 27920 1 846 . 1 . 1 190 190 ARG H H 1 8.631 0.005 . 1 . . . . . 190 ARG HN . 27920 1 847 . 1 . 1 190 190 ARG C C 13 175.957 0.050 . 1 . . . . . 190 ARG C . 27920 1 848 . 1 . 1 190 190 ARG CA C 13 52.595 0.050 . 1 . . . . . 190 ARG CA . 27920 1 849 . 1 . 1 190 190 ARG CB C 13 29.830 0.050 . 1 . . . . . 190 ARG CB . 27920 1 850 . 1 . 1 190 190 ARG N N 15 120.606 0.050 . 1 . . . . . 190 ARG N . 27920 1 851 . 1 . 1 191 191 PRO C C 13 178.787 0.050 . 1 . . . . . 191 PRO C . 27920 1 852 . 1 . 1 191 191 PRO CA C 13 64.585 0.050 . 1 . . . . . 191 PRO CA . 27920 1 853 . 1 . 1 191 191 PRO CB C 13 30.755 0.050 . 1 . . . . . 191 PRO CB . 27920 1 854 . 1 . 1 192 192 GLU H H 1 9.656 0.005 . 1 . . . . . 192 GLU HN . 27920 1 855 . 1 . 1 192 192 GLU C C 13 176.850 0.050 . 1 . . . . . 192 GLU C . 27920 1 856 . 1 . 1 192 192 GLU CA C 13 59.215 0.050 . 1 . . . . . 192 GLU CA . 27920 1 857 . 1 . 1 192 192 GLU CB C 13 27.557 0.050 . 1 . . . . . 192 GLU CB . 27920 1 858 . 1 . 1 192 192 GLU N N 15 118.476 0.050 . 1 . . . . . 192 GLU N . 27920 1 859 . 1 . 1 193 193 ASP H H 1 7.214 0.005 . 1 . . . . . 193 ASP HN . 27920 1 860 . 1 . 1 193 193 ASP C C 13 176.791 0.050 . 1 . . . . . 193 ASP C . 27920 1 861 . 1 . 1 193 193 ASP CA C 13 54.865 0.050 . 1 . . . . . 193 ASP CA . 27920 1 862 . 1 . 1 193 193 ASP CB C 13 41.836 0.050 . 1 . . . . . 193 ASP CB . 27920 1 863 . 1 . 1 193 193 ASP N N 15 115.612 0.050 . 1 . . . . . 193 ASP N . 27920 1 864 . 1 . 1 194 194 LEU H H 1 7.594 0.005 . 1 . . . . . 194 LEU HN . 27920 1 865 . 1 . 1 194 194 LEU C C 13 176.209 0.050 . 1 . . . . . 194 LEU C . 27920 1 866 . 1 . 1 194 194 LEU CA C 13 55.840 0.050 . 1 . . . . . 194 LEU CA . 27920 1 867 . 1 . 1 194 194 LEU CB C 13 42.849 0.050 . 1 . . . . . 194 LEU CB . 27920 1 868 . 1 . 1 194 194 LEU N N 15 117.365 0.050 . 1 . . . . . 194 LEU N . 27920 1 869 . 1 . 1 195 195 GLY H H 1 8.018 0.005 . 1 . . . . . 195 GLY HN . 27920 1 870 . 1 . 1 195 195 GLY C C 13 172.777 0.050 . 1 . . . . . 195 GLY C . 27920 1 871 . 1 . 1 195 195 GLY CA C 13 43.678 0.050 . 1 . . . . . 195 GLY CA . 27920 1 872 . 1 . 1 195 195 GLY N N 15 107.098 0.050 . 1 . . . . . 195 GLY N . 27920 1 873 . 1 . 1 196 196 ASP H H 1 7.970 0.005 . 1 . . . . . 196 ASP HN . 27920 1 874 . 1 . 1 196 196 ASP C C 13 176.913 0.050 . 1 . . . . . 196 ASP C . 27920 1 875 . 1 . 1 196 196 ASP CA C 13 53.840 0.050 . 1 . . . . . 196 ASP CA . 27920 1 876 . 1 . 1 196 196 ASP CB C 13 41.277 0.050 . 1 . . . . . 196 ASP CB . 27920 1 877 . 1 . 1 196 196 ASP N N 15 116.808 0.050 . 1 . . . . . 196 ASP N . 27920 1 878 . 1 . 1 197 197 ASP H H 1 8.797 0.005 . 1 . . . . . 197 ASP HN . 27920 1 879 . 1 . 1 197 197 ASP C C 13 175.250 0.050 . 1 . . . . . 197 ASP C . 27920 1 880 . 1 . 1 197 197 ASP CA C 13 53.682 0.050 . 1 . . . . . 197 ASP CA . 27920 1 881 . 1 . 1 197 197 ASP CB C 13 39.594 0.050 . 1 . . . . . 197 ASP CB . 27920 1 882 . 1 . 1 197 197 ASP N N 15 117.394 0.050 . 1 . . . . . 197 ASP N . 27920 1 883 . 1 . 1 198 198 ILE H H 1 6.964 0.005 . 1 . . . . . 198 ILE HN . 27920 1 884 . 1 . 1 198 198 ILE C C 13 175.355 0.050 . 1 . . . . . 198 ILE C . 27920 1 885 . 1 . 1 198 198 ILE CA C 13 58.133 0.050 . 1 . . . . . 198 ILE CA . 27920 1 886 . 1 . 1 198 198 ILE CB C 13 40.145 0.050 . 1 . . . . . 198 ILE CB . 27920 1 887 . 1 . 1 198 198 ILE N N 15 115.124 0.050 . 1 . . . . . 198 ILE N . 27920 1 888 . 1 . 1 199 199 VAL H H 1 9.033 0.005 . 1 . . . . . 199 VAL HN . 27920 1 889 . 1 . 1 199 199 VAL C C 13 174.275 0.050 . 1 . . . . . 199 VAL C . 27920 1 890 . 1 . 1 199 199 VAL CA C 13 63.736 0.050 . 1 . . . . . 199 VAL CA . 27920 1 891 . 1 . 1 199 199 VAL CB C 13 30.209 0.050 . 1 . . . . . 199 VAL CB . 27920 1 892 . 1 . 1 199 199 VAL N N 15 126.366 0.050 . 1 . . . . . 199 VAL N . 27920 1 893 . 1 . 1 200 200 ILE H H 1 7.978 0.005 . 1 . . . . . 200 ILE HN . 27920 1 894 . 1 . 1 200 200 ILE C C 13 176.107 0.050 . 1 . . . . . 200 ILE C . 27920 1 895 . 1 . 1 200 200 ILE CA C 13 58.173 0.050 . 1 . . . . . 200 ILE CA . 27920 1 896 . 1 . 1 200 200 ILE CB C 13 41.134 0.050 . 1 . . . . . 200 ILE CB . 27920 1 897 . 1 . 1 200 200 ILE N N 15 125.572 0.050 . 1 . . . . . 200 ILE N . 27920 1 898 . 1 . 1 201 201 VAL H H 1 8.731 0.005 . 1 . . . . . 201 VAL HN . 27920 1 899 . 1 . 1 201 201 VAL C C 13 174.376 0.050 . 1 . . . . . 201 VAL C . 27920 1 900 . 1 . 1 201 201 VAL CA C 13 56.304 0.050 . 1 . . . . . 201 VAL CA . 27920 1 901 . 1 . 1 201 201 VAL CB C 13 31.656 0.050 . 1 . . . . . 201 VAL CB . 27920 1 902 . 1 . 1 201 201 VAL N N 15 119.485 0.050 . 1 . . . . . 201 VAL N . 27920 1 903 . 1 . 1 202 202 PRO C C 13 177.223 0.050 . 1 . . . . . 202 PRO C . 27920 1 904 . 1 . 1 202 202 PRO CA C 13 63.946 0.050 . 1 . . . . . 202 PRO CA . 27920 1 905 . 1 . 1 202 202 PRO CB C 13 31.000 0.050 . 1 . . . . . 202 PRO CB . 27920 1 906 . 1 . 1 203 203 ASP H H 1 6.839 0.005 . 1 . . . . . 203 ASP HN . 27920 1 907 . 1 . 1 203 203 ASP C C 13 175.778 0.050 . 1 . . . . . 203 ASP C . 27920 1 908 . 1 . 1 203 203 ASP CA C 13 53.056 0.050 . 1 . . . . . 203 ASP CA . 27920 1 909 . 1 . 1 203 203 ASP CB C 13 41.571 0.050 . 1 . . . . . 203 ASP CB . 27920 1 910 . 1 . 1 203 203 ASP N N 15 109.864 0.050 . 1 . . . . . 203 ASP N . 27920 1 911 . 1 . 1 204 204 THR H H 1 8.217 0.005 . 1 . . . . . 204 THR HN . 27920 1 912 . 1 . 1 204 204 THR C C 13 176.506 0.050 . 1 . . . . . 204 THR C . 27920 1 913 . 1 . 1 204 204 THR CA C 13 65.296 0.050 . 1 . . . . . 204 THR CA . 27920 1 914 . 1 . 1 204 204 THR CB C 13 68.909 0.050 . 1 . . . . . 204 THR CB . 27920 1 915 . 1 . 1 204 204 THR N N 15 109.127 0.050 . 1 . . . . . 204 THR N . 27920 1 916 . 1 . 1 205 205 SER H H 1 8.853 0.005 . 1 . . . . . 205 SER HN . 27920 1 917 . 1 . 1 205 205 SER C C 13 175.599 0.050 . 1 . . . . . 205 SER C . 27920 1 918 . 1 . 1 205 205 SER CA C 13 61.252 0.050 . 1 . . . . . 205 SER CA . 27920 1 919 . 1 . 1 205 205 SER CB C 13 62.057 0.050 . 1 . . . . . 205 SER CB . 27920 1 920 . 1 . 1 205 205 SER N N 15 119.281 0.050 . 1 . . . . . 205 SER N . 27920 1 921 . 1 . 1 206 206 HIS H H 1 7.260 0.005 . 1 . . . . . 206 HIS HN . 27920 1 922 . 1 . 1 206 206 HIS C C 13 176.744 0.050 . 1 . . . . . 206 HIS C . 27920 1 923 . 1 . 1 206 206 HIS CA C 13 56.773 0.050 . 1 . . . . . 206 HIS CA . 27920 1 924 . 1 . 1 206 206 HIS CB C 13 30.212 0.050 . 1 . . . . . 206 HIS CB . 27920 1 925 . 1 . 1 206 206 HIS N N 15 118.153 0.050 . 1 . . . . . 206 HIS N . 27920 1 926 . 1 . 1 207 207 TYR H H 1 7.789 0.005 . 1 . . . . . 207 TYR HN . 27920 1 927 . 1 . 1 207 207 TYR C C 13 173.518 0.050 . 1 . . . . . 207 TYR C . 27920 1 928 . 1 . 1 207 207 TYR CA C 13 54.346 0.050 . 1 . . . . . 207 TYR CA . 27920 1 929 . 1 . 1 207 207 TYR CB C 13 35.331 0.050 . 1 . . . . . 207 TYR CB . 27920 1 930 . 1 . 1 207 207 TYR N N 15 120.095 0.050 . 1 . . . . . 207 TYR N . 27920 1 931 . 1 . 1 208 208 THR H H 1 7.350 0.005 . 1 . . . . . 208 THR HN . 27920 1 932 . 1 . 1 208 208 THR C C 13 174.688 0.050 . 1 . . . . . 208 THR C . 27920 1 933 . 1 . 1 208 208 THR CA C 13 57.944 0.050 . 1 . . . . . 208 THR CA . 27920 1 934 . 1 . 1 208 208 THR CB C 13 71.151 0.050 . 1 . . . . . 208 THR CB . 27920 1 935 . 1 . 1 208 208 THR N N 15 114.293 0.050 . 1 . . . . . 208 THR N . 27920 1 936 . 1 . 1 209 209 LEU H H 1 9.500 0.005 . 1 . . . . . 209 LEU HN . 27920 1 937 . 1 . 1 209 209 LEU C C 13 177.856 0.050 . 1 . . . . . 209 LEU C . 27920 1 938 . 1 . 1 209 209 LEU CA C 13 58.285 0.050 . 1 . . . . . 209 LEU CA . 27920 1 939 . 1 . 1 209 209 LEU CB C 13 39.852 0.050 . 1 . . . . . 209 LEU CB . 27920 1 940 . 1 . 1 209 209 LEU N N 15 124.980 0.050 . 1 . . . . . 209 LEU N . 27920 1 941 . 1 . 1 210 210 GLU H H 1 8.599 0.005 . 1 . . . . . 210 GLU HN . 27920 1 942 . 1 . 1 210 210 GLU C C 13 178.847 0.050 . 1 . . . . . 210 GLU C . 27920 1 943 . 1 . 1 210 210 GLU CA C 13 59.502 0.050 . 1 . . . . . 210 GLU CA . 27920 1 944 . 1 . 1 210 210 GLU CB C 13 28.419 0.050 . 1 . . . . . 210 GLU CB . 27920 1 945 . 1 . 1 210 210 GLU N N 15 116.610 0.050 . 1 . . . . . 210 GLU N . 27920 1 946 . 1 . 1 211 211 PHE H H 1 8.185 0.005 . 1 . . . . . 211 PHE HN . 27920 1 947 . 1 . 1 211 211 PHE C C 13 176.777 0.050 . 1 . . . . . 211 PHE C . 27920 1 948 . 1 . 1 211 211 PHE CA C 13 60.917 0.050 . 1 . . . . . 211 PHE CA . 27920 1 949 . 1 . 1 211 211 PHE CB C 13 39.416 0.050 . 1 . . . . . 211 PHE CB . 27920 1 950 . 1 . 1 211 211 PHE N N 15 122.070 0.050 . 1 . . . . . 211 PHE N . 27920 1 951 . 1 . 1 212 212 LEU H H 1 8.385 0.005 . 1 . . . . . 212 LEU HN . 27920 1 952 . 1 . 1 212 212 LEU C C 13 179.077 0.050 . 1 . . . . . 212 LEU C . 27920 1 953 . 1 . 1 212 212 LEU CA C 13 58.937 0.050 . 1 . . . . . 212 LEU CA . 27920 1 954 . 1 . 1 212 212 LEU CB C 13 39.907 0.050 . 1 . . . . . 212 LEU CB . 27920 1 955 . 1 . 1 212 212 LEU N N 15 119.540 0.050 . 1 . . . . . 212 LEU N . 27920 1 956 . 1 . 1 213 213 LYS H H 1 8.427 0.005 . 1 . . . . . 213 LYS HN . 27920 1 957 . 1 . 1 213 213 LYS C C 13 178.107 0.050 . 1 . . . . . 213 LYS C . 27920 1 958 . 1 . 1 213 213 LYS CA C 13 60.540 0.050 . 1 . . . . . 213 LYS CA . 27920 1 959 . 1 . 1 213 213 LYS CB C 13 31.991 0.050 . 1 . . . . . 213 LYS CB . 27920 1 960 . 1 . 1 213 213 LYS N N 15 116.058 0.050 . 1 . . . . . 213 LYS N . 27920 1 961 . 1 . 1 214 214 GLU H H 1 7.782 0.005 . 1 . . . . . 214 GLU HN . 27920 1 962 . 1 . 1 214 214 GLU C C 13 179.643 0.050 . 1 . . . . . 214 GLU C . 27920 1 963 . 1 . 1 214 214 GLU CA C 13 59.145 0.050 . 1 . . . . . 214 GLU CA . 27920 1 964 . 1 . 1 214 214 GLU CB C 13 28.507 0.050 . 1 . . . . . 214 GLU CB . 27920 1 965 . 1 . 1 214 214 GLU N N 15 120.282 0.050 . 1 . . . . . 214 GLU N . 27920 1 966 . 1 . 1 215 215 VAL H H 1 8.230 0.005 . 1 . . . . . 215 VAL HN . 27920 1 967 . 1 . 1 215 215 VAL C C 13 178.436 0.050 . 1 . . . . . 215 VAL C . 27920 1 968 . 1 . 1 215 215 VAL CA C 13 65.730 0.050 . 1 . . . . . 215 VAL CA . 27920 1 969 . 1 . 1 215 215 VAL CB C 13 30.681 0.050 . 1 . . . . . 215 VAL CB . 27920 1 970 . 1 . 1 215 215 VAL N N 15 120.147 0.050 . 1 . . . . . 215 VAL N . 27920 1 971 . 1 . 1 216 216 TRP H H 1 8.464 0.005 . 1 . . . . . 216 TRP HN . 27920 1 972 . 1 . 1 216 216 TRP C C 13 178.685 0.050 . 1 . . . . . 216 TRP C . 27920 1 973 . 1 . 1 216 216 TRP CA C 13 60.603 0.050 . 1 . . . . . 216 TRP CA . 27920 1 974 . 1 . 1 216 216 TRP CB C 13 29.040 0.050 . 1 . . . . . 216 TRP CB . 27920 1 975 . 1 . 1 216 216 TRP N N 15 120.624 0.050 . 1 . . . . . 216 TRP N . 27920 1 976 . 1 . 1 217 217 LEU H H 1 8.220 0.005 . 1 . . . . . 217 LEU HN . 27920 1 977 . 1 . 1 217 217 LEU C C 13 179.930 0.050 . 1 . . . . . 217 LEU C . 27920 1 978 . 1 . 1 217 217 LEU CA C 13 57.060 0.050 . 1 . . . . . 217 LEU CA . 27920 1 979 . 1 . 1 217 217 LEU CB C 13 40.950 0.050 . 1 . . . . . 217 LEU CB . 27920 1 980 . 1 . 1 217 217 LEU N N 15 116.921 0.050 . 1 . . . . . 217 LEU N . 27920 1 981 . 1 . 1 218 218 GLN H H 1 7.841 0.005 . 1 . . . . . 218 GLN HN . 27920 1 982 . 1 . 1 218 218 GLN C C 13 177.750 0.050 . 1 . . . . . 218 GLN C . 27920 1 983 . 1 . 1 218 218 GLN CA C 13 57.142 0.050 . 1 . . . . . 218 GLN CA . 27920 1 984 . 1 . 1 218 218 GLN CB C 13 27.905 0.050 . 1 . . . . . 218 GLN CB . 27920 1 985 . 1 . 1 218 218 GLN N N 15 118.058 0.050 . 1 . . . . . 218 GLN N . 27920 1 986 . 1 . 1 219 219 LYS H H 1 7.571 0.005 . 1 . . . . . 219 LYS HN . 27920 1 987 . 1 . 1 219 219 LYS C C 13 176.638 0.050 . 1 . . . . . 219 LYS C . 27920 1 988 . 1 . 1 219 219 LYS CA C 13 55.411 0.050 . 1 . . . . . 219 LYS CA . 27920 1 989 . 1 . 1 219 219 LYS CB C 13 31.205 0.050 . 1 . . . . . 219 LYS CB . 27920 1 990 . 1 . 1 219 219 LYS N N 15 117.866 0.050 . 1 . . . . . 219 LYS N . 27920 1 991 . 1 . 1 220 220 GLN H H 1 7.654 0.005 . 1 . . . . . 220 GLN HN . 27920 1 992 . 1 . 1 220 220 GLN C C 13 175.077 0.050 . 1 . . . . . 220 GLN C . 27920 1 993 . 1 . 1 220 220 GLN CA C 13 55.135 0.050 . 1 . . . . . 220 GLN CA . 27920 1 994 . 1 . 1 220 220 GLN CB C 13 27.712 0.050 . 1 . . . . . 220 GLN CB . 27920 1 995 . 1 . 1 220 220 GLN N N 15 119.765 0.050 . 1 . . . . . 220 GLN N . 27920 1 996 . 1 . 1 221 221 LYS H H 1 7.569 0.005 . 1 . . . . . 221 LYS HN . 27920 1 997 . 1 . 1 221 221 LYS C C 13 181.528 0.050 . 1 . . . . . 221 LYS C . 27920 1 998 . 1 . 1 221 221 LYS CA C 13 57.275 0.050 . 1 . . . . . 221 LYS CA . 27920 1 999 . 1 . 1 221 221 LYS CB C 13 32.299 0.050 . 1 . . . . . 221 LYS CB . 27920 1 1000 . 1 . 1 221 221 LYS N N 15 127.377 0.050 . 1 . . . . . 221 LYS N . 27920 1 stop_ save_