data_50386 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50386 _Entry.Title ; Phosphorylated tEIN backbone and I/L/V methyl resonance assignment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-07-10 _Entry.Accession_date 2020-07-10 _Entry.Last_release_date 2020-07-10 _Entry.Original_release_date 2020-07-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _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 Jeffrey Purslow . A. . . 50386 2 Rochelle Dotas . . . . 50386 3 Valeria Sivo . . . . 50386 4 Vincenzo Venditti . . . . 50386 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 50386 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 825 50386 '15N chemical shifts' 466 50386 '1H chemical shifts' 792 50386 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-08-23 2020-07-10 update BMRB 'update entry citation' 50386 1 . . 2020-07-15 2020-07-10 original author 'original release' 50386 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27832 'Methyl Chemical shift Assignment of EIC from the thermophile thermoanaerobacter tengcongenesis' 50386 BMRB 27833 'tEIN backbone and I/L/V methyl resonance assignment' 50386 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50386 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34307459 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Phosphorylation and single-point mutation effects on the conformational dynamics of EIN ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Front. Mol. Biosci.' _Citation.Journal_name_full 'Frontiers in molecular biosciences' _Citation.Journal_volume 8 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2296-889X _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 699203 _Citation.Page_last 699203 _Citation.Year 2021 _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 Jeffrey Purslow J. A. . . 50386 1 2 Jolene Thimmesch J. N. . . 50386 1 3 Valeria Sivo V. . . . 50386 1 4 Trang Nguyen T. T. . . 50386 1 5 Balabhadra Khatiwada B. . . . 50386 1 6 Rochelle Dotas R. R. . . 50386 1 7 Vincenzo Venditti V. . . . 50386 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50386 _Assembly.ID 1 _Assembly.Name 'Phosphorylated tEIN' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Phosphorylated tEIN' 1 $entity_1 . . yes native no no . . . 50386 1 2 PEP 2 $entity_PEP . . no native no no . . . 50386 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50386 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MLKGVAASPGIAIGKAFLYT KEKVTINVEKIEESKVEEEI AKFRKALEVTQEEIEKIKEK ALKEFGKEKAEIFEAHLMLA SDPELIEGVENMIKTELVTA DNAVNKVIEQNASVMESLND EYLKERAVDLRDVGNRIIEN LLGVKSVNLSDLEEEVVVIA RDLTPSDTATMKKEMVLGFA TDVGGITSXTAIMARSLEIP AVVGLGNVTSQVKAGDLVIV DGLEGIVIVNPDEKTVEDYK SKKESYEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 248 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 50386 1 2 . LEU . 50386 1 3 . LYS . 50386 1 4 . GLY . 50386 1 5 . VAL . 50386 1 6 . ALA . 50386 1 7 . ALA . 50386 1 8 . SER . 50386 1 9 . PRO . 50386 1 10 . GLY . 50386 1 11 . ILE . 50386 1 12 . ALA . 50386 1 13 . ILE . 50386 1 14 . GLY . 50386 1 15 . LYS . 50386 1 16 . ALA . 50386 1 17 . PHE . 50386 1 18 . LEU . 50386 1 19 . TYR . 50386 1 20 . THR . 50386 1 21 . LYS . 50386 1 22 . GLU . 50386 1 23 . LYS . 50386 1 24 . VAL . 50386 1 25 . THR . 50386 1 26 . ILE . 50386 1 27 . ASN . 50386 1 28 . VAL . 50386 1 29 . GLU . 50386 1 30 . LYS . 50386 1 31 . ILE . 50386 1 32 . GLU . 50386 1 33 . GLU . 50386 1 34 . SER . 50386 1 35 . LYS . 50386 1 36 . VAL . 50386 1 37 . GLU . 50386 1 38 . GLU . 50386 1 39 . GLU . 50386 1 40 . ILE . 50386 1 41 . ALA . 50386 1 42 . LYS . 50386 1 43 . PHE . 50386 1 44 . ARG . 50386 1 45 . LYS . 50386 1 46 . ALA . 50386 1 47 . LEU . 50386 1 48 . GLU . 50386 1 49 . VAL . 50386 1 50 . THR . 50386 1 51 . GLN . 50386 1 52 . GLU . 50386 1 53 . GLU . 50386 1 54 . ILE . 50386 1 55 . GLU . 50386 1 56 . LYS . 50386 1 57 . ILE . 50386 1 58 . LYS . 50386 1 59 . GLU . 50386 1 60 . LYS . 50386 1 61 . ALA . 50386 1 62 . LEU . 50386 1 63 . LYS . 50386 1 64 . GLU . 50386 1 65 . PHE . 50386 1 66 . GLY . 50386 1 67 . LYS . 50386 1 68 . GLU . 50386 1 69 . LYS . 50386 1 70 . ALA . 50386 1 71 . GLU . 50386 1 72 . ILE . 50386 1 73 . PHE . 50386 1 74 . GLU . 50386 1 75 . ALA . 50386 1 76 . HIS . 50386 1 77 . LEU . 50386 1 78 . MET . 50386 1 79 . LEU . 50386 1 80 . ALA . 50386 1 81 . SER . 50386 1 82 . ASP . 50386 1 83 . PRO . 50386 1 84 . GLU . 50386 1 85 . LEU . 50386 1 86 . ILE . 50386 1 87 . GLU . 50386 1 88 . GLY . 50386 1 89 . VAL . 50386 1 90 . GLU . 50386 1 91 . ASN . 50386 1 92 . MET . 50386 1 93 . ILE . 50386 1 94 . LYS . 50386 1 95 . THR . 50386 1 96 . GLU . 50386 1 97 . LEU . 50386 1 98 . VAL . 50386 1 99 . THR . 50386 1 100 . ALA . 50386 1 101 . ASP . 50386 1 102 . ASN . 50386 1 103 . ALA . 50386 1 104 . VAL . 50386 1 105 . ASN . 50386 1 106 . LYS . 50386 1 107 . VAL . 50386 1 108 . ILE . 50386 1 109 . GLU . 50386 1 110 . GLN . 50386 1 111 . ASN . 50386 1 112 . ALA . 50386 1 113 . SER . 50386 1 114 . VAL . 50386 1 115 . MET . 50386 1 116 . GLU . 50386 1 117 . SER . 50386 1 118 . LEU . 50386 1 119 . ASN . 50386 1 120 . ASP . 50386 1 121 . GLU . 50386 1 122 . TYR . 50386 1 123 . LEU . 50386 1 124 . LYS . 50386 1 125 . GLU . 50386 1 126 . ARG . 50386 1 127 . ALA . 50386 1 128 . VAL . 50386 1 129 . ASP . 50386 1 130 . LEU . 50386 1 131 . ARG . 50386 1 132 . ASP . 50386 1 133 . VAL . 50386 1 134 . GLY . 50386 1 135 . ASN . 50386 1 136 . ARG . 50386 1 137 . ILE . 50386 1 138 . ILE . 50386 1 139 . GLU . 50386 1 140 . ASN . 50386 1 141 . LEU . 50386 1 142 . LEU . 50386 1 143 . GLY . 50386 1 144 . VAL . 50386 1 145 . LYS . 50386 1 146 . SER . 50386 1 147 . VAL . 50386 1 148 . ASN . 50386 1 149 . LEU . 50386 1 150 . SER . 50386 1 151 . ASP . 50386 1 152 . LEU . 50386 1 153 . GLU . 50386 1 154 . GLU . 50386 1 155 . GLU . 50386 1 156 . VAL . 50386 1 157 . VAL . 50386 1 158 . VAL . 50386 1 159 . ILE . 50386 1 160 . ALA . 50386 1 161 . ARG . 50386 1 162 . ASP . 50386 1 163 . LEU . 50386 1 164 . THR . 50386 1 165 . PRO . 50386 1 166 . SER . 50386 1 167 . ASP . 50386 1 168 . THR . 50386 1 169 . ALA . 50386 1 170 . THR . 50386 1 171 . MET . 50386 1 172 . LYS . 50386 1 173 . LYS . 50386 1 174 . GLU . 50386 1 175 . MET . 50386 1 176 . VAL . 50386 1 177 . LEU . 50386 1 178 . GLY . 50386 1 179 . PHE . 50386 1 180 . ALA . 50386 1 181 . THR . 50386 1 182 . ASP . 50386 1 183 . VAL . 50386 1 184 . GLY . 50386 1 185 . GLY . 50386 1 186 . ILE . 50386 1 187 . THR . 50386 1 188 . SER . 50386 1 189 . NEP . 50386 1 190 . THR . 50386 1 191 . ALA . 50386 1 192 . ILE . 50386 1 193 . MET . 50386 1 194 . ALA . 50386 1 195 . ARG . 50386 1 196 . SER . 50386 1 197 . LEU . 50386 1 198 . GLU . 50386 1 199 . ILE . 50386 1 200 . PRO . 50386 1 201 . ALA . 50386 1 202 . VAL . 50386 1 203 . VAL . 50386 1 204 . GLY . 50386 1 205 . LEU . 50386 1 206 . GLY . 50386 1 207 . ASN . 50386 1 208 . VAL . 50386 1 209 . THR . 50386 1 210 . SER . 50386 1 211 . GLN . 50386 1 212 . VAL . 50386 1 213 . LYS . 50386 1 214 . ALA . 50386 1 215 . GLY . 50386 1 216 . ASP . 50386 1 217 . LEU . 50386 1 218 . VAL . 50386 1 219 . ILE . 50386 1 220 . VAL . 50386 1 221 . ASP . 50386 1 222 . GLY . 50386 1 223 . LEU . 50386 1 224 . GLU . 50386 1 225 . GLY . 50386 1 226 . ILE . 50386 1 227 . VAL . 50386 1 228 . ILE . 50386 1 229 . VAL . 50386 1 230 . ASN . 50386 1 231 . PRO . 50386 1 232 . ASP . 50386 1 233 . GLU . 50386 1 234 . LYS . 50386 1 235 . THR . 50386 1 236 . VAL . 50386 1 237 . GLU . 50386 1 238 . ASP . 50386 1 239 . TYR . 50386 1 240 . LYS . 50386 1 241 . SER . 50386 1 242 . LYS . 50386 1 243 . LYS . 50386 1 244 . GLU . 50386 1 245 . SER . 50386 1 246 . TYR . 50386 1 247 . GLU . 50386 1 248 . LYS . 50386 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 50386 1 . LEU 2 2 50386 1 . LYS 3 3 50386 1 . GLY 4 4 50386 1 . VAL 5 5 50386 1 . ALA 6 6 50386 1 . ALA 7 7 50386 1 . SER 8 8 50386 1 . PRO 9 9 50386 1 . GLY 10 10 50386 1 . ILE 11 11 50386 1 . ALA 12 12 50386 1 . ILE 13 13 50386 1 . GLY 14 14 50386 1 . LYS 15 15 50386 1 . ALA 16 16 50386 1 . PHE 17 17 50386 1 . LEU 18 18 50386 1 . TYR 19 19 50386 1 . THR 20 20 50386 1 . LYS 21 21 50386 1 . GLU 22 22 50386 1 . LYS 23 23 50386 1 . VAL 24 24 50386 1 . THR 25 25 50386 1 . ILE 26 26 50386 1 . ASN 27 27 50386 1 . VAL 28 28 50386 1 . GLU 29 29 50386 1 . LYS 30 30 50386 1 . ILE 31 31 50386 1 . GLU 32 32 50386 1 . GLU 33 33 50386 1 . SER 34 34 50386 1 . LYS 35 35 50386 1 . VAL 36 36 50386 1 . GLU 37 37 50386 1 . GLU 38 38 50386 1 . GLU 39 39 50386 1 . ILE 40 40 50386 1 . ALA 41 41 50386 1 . LYS 42 42 50386 1 . PHE 43 43 50386 1 . ARG 44 44 50386 1 . LYS 45 45 50386 1 . ALA 46 46 50386 1 . LEU 47 47 50386 1 . GLU 48 48 50386 1 . VAL 49 49 50386 1 . THR 50 50 50386 1 . GLN 51 51 50386 1 . GLU 52 52 50386 1 . GLU 53 53 50386 1 . ILE 54 54 50386 1 . GLU 55 55 50386 1 . LYS 56 56 50386 1 . ILE 57 57 50386 1 . LYS 58 58 50386 1 . GLU 59 59 50386 1 . LYS 60 60 50386 1 . ALA 61 61 50386 1 . LEU 62 62 50386 1 . LYS 63 63 50386 1 . GLU 64 64 50386 1 . PHE 65 65 50386 1 . GLY 66 66 50386 1 . LYS 67 67 50386 1 . GLU 68 68 50386 1 . LYS 69 69 50386 1 . ALA 70 70 50386 1 . GLU 71 71 50386 1 . ILE 72 72 50386 1 . PHE 73 73 50386 1 . GLU 74 74 50386 1 . ALA 75 75 50386 1 . HIS 76 76 50386 1 . LEU 77 77 50386 1 . MET 78 78 50386 1 . LEU 79 79 50386 1 . ALA 80 80 50386 1 . SER 81 81 50386 1 . ASP 82 82 50386 1 . PRO 83 83 50386 1 . GLU 84 84 50386 1 . LEU 85 85 50386 1 . ILE 86 86 50386 1 . GLU 87 87 50386 1 . GLY 88 88 50386 1 . VAL 89 89 50386 1 . GLU 90 90 50386 1 . ASN 91 91 50386 1 . MET 92 92 50386 1 . ILE 93 93 50386 1 . LYS 94 94 50386 1 . THR 95 95 50386 1 . GLU 96 96 50386 1 . LEU 97 97 50386 1 . VAL 98 98 50386 1 . THR 99 99 50386 1 . ALA 100 100 50386 1 . ASP 101 101 50386 1 . ASN 102 102 50386 1 . ALA 103 103 50386 1 . VAL 104 104 50386 1 . ASN 105 105 50386 1 . LYS 106 106 50386 1 . VAL 107 107 50386 1 . ILE 108 108 50386 1 . GLU 109 109 50386 1 . GLN 110 110 50386 1 . ASN 111 111 50386 1 . ALA 112 112 50386 1 . SER 113 113 50386 1 . VAL 114 114 50386 1 . MET 115 115 50386 1 . GLU 116 116 50386 1 . SER 117 117 50386 1 . LEU 118 118 50386 1 . ASN 119 119 50386 1 . ASP 120 120 50386 1 . GLU 121 121 50386 1 . TYR 122 122 50386 1 . LEU 123 123 50386 1 . LYS 124 124 50386 1 . GLU 125 125 50386 1 . ARG 126 126 50386 1 . ALA 127 127 50386 1 . VAL 128 128 50386 1 . ASP 129 129 50386 1 . LEU 130 130 50386 1 . ARG 131 131 50386 1 . ASP 132 132 50386 1 . VAL 133 133 50386 1 . GLY 134 134 50386 1 . ASN 135 135 50386 1 . ARG 136 136 50386 1 . ILE 137 137 50386 1 . ILE 138 138 50386 1 . GLU 139 139 50386 1 . ASN 140 140 50386 1 . LEU 141 141 50386 1 . LEU 142 142 50386 1 . GLY 143 143 50386 1 . VAL 144 144 50386 1 . LYS 145 145 50386 1 . SER 146 146 50386 1 . VAL 147 147 50386 1 . ASN 148 148 50386 1 . LEU 149 149 50386 1 . SER 150 150 50386 1 . ASP 151 151 50386 1 . LEU 152 152 50386 1 . GLU 153 153 50386 1 . GLU 154 154 50386 1 . GLU 155 155 50386 1 . VAL 156 156 50386 1 . VAL 157 157 50386 1 . VAL 158 158 50386 1 . ILE 159 159 50386 1 . ALA 160 160 50386 1 . ARG 161 161 50386 1 . ASP 162 162 50386 1 . LEU 163 163 50386 1 . THR 164 164 50386 1 . PRO 165 165 50386 1 . SER 166 166 50386 1 . ASP 167 167 50386 1 . THR 168 168 50386 1 . ALA 169 169 50386 1 . THR 170 170 50386 1 . MET 171 171 50386 1 . LYS 172 172 50386 1 . LYS 173 173 50386 1 . GLU 174 174 50386 1 . MET 175 175 50386 1 . VAL 176 176 50386 1 . LEU 177 177 50386 1 . GLY 178 178 50386 1 . PHE 179 179 50386 1 . ALA 180 180 50386 1 . THR 181 181 50386 1 . ASP 182 182 50386 1 . VAL 183 183 50386 1 . GLY 184 184 50386 1 . GLY 185 185 50386 1 . ILE 186 186 50386 1 . THR 187 187 50386 1 . SER 188 188 50386 1 . NEP 189 189 50386 1 . THR 190 190 50386 1 . ALA 191 191 50386 1 . ILE 192 192 50386 1 . MET 193 193 50386 1 . ALA 194 194 50386 1 . ARG 195 195 50386 1 . SER 196 196 50386 1 . LEU 197 197 50386 1 . GLU 198 198 50386 1 . ILE 199 199 50386 1 . PRO 200 200 50386 1 . ALA 201 201 50386 1 . VAL 202 202 50386 1 . VAL 203 203 50386 1 . GLY 204 204 50386 1 . LEU 205 205 50386 1 . GLY 206 206 50386 1 . ASN 207 207 50386 1 . VAL 208 208 50386 1 . THR 209 209 50386 1 . SER 210 210 50386 1 . GLN 211 211 50386 1 . VAL 212 212 50386 1 . LYS 213 213 50386 1 . ALA 214 214 50386 1 . GLY 215 215 50386 1 . ASP 216 216 50386 1 . LEU 217 217 50386 1 . VAL 218 218 50386 1 . ILE 219 219 50386 1 . VAL 220 220 50386 1 . ASP 221 221 50386 1 . GLY 222 222 50386 1 . LEU 223 223 50386 1 . GLU 224 224 50386 1 . GLY 225 225 50386 1 . ILE 226 226 50386 1 . VAL 227 227 50386 1 . ILE 228 228 50386 1 . VAL 229 229 50386 1 . ASN 230 230 50386 1 . PRO 231 231 50386 1 . ASP 232 232 50386 1 . GLU 233 233 50386 1 . LYS 234 234 50386 1 . THR 235 235 50386 1 . VAL 236 236 50386 1 . GLU 237 237 50386 1 . ASP 238 238 50386 1 . TYR 239 239 50386 1 . LYS 240 240 50386 1 . SER 241 241 50386 1 . LYS 242 242 50386 1 . LYS 243 243 50386 1 . GLU 244 244 50386 1 . SER 245 245 50386 1 . TYR 246 246 50386 1 . GLU 247 247 50386 1 . LYS 248 248 50386 1 stop_ save_ save_entity_PEP _Entity.Sf_category entity _Entity.Sf_framecode entity_PEP _Entity.Entry_ID 50386 _Entity.ID 2 _Entity.BMRB_code PEP _Entity.Name PHOSPHOENOLPYRUVATE _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 PEP _Entity.Nonpolymer_comp_label $chem_comp_PEP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 168.042 _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 PHOSPHOENOLPYRUVATE BMRB 50386 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID PHOSPHOENOLPYRUVATE BMRB 50386 2 PEP 'Three letter code' 50386 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 PEP $chem_comp_PEP 50386 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50386 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 911092 organism . 'Thermoanaerobacter tengcongensis' 'Caldanaerobacter subterraneus' . . Bacteria . Caldanaerobacter subterraneus . . . . . . . . . . . . . 50386 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50386 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pet21A . . . 50386 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PEP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PEP _Chem_comp.Entry_ID 50386 _Chem_comp.ID PEP _Chem_comp.Provenance PDB _Chem_comp.Name PHOSPHOENOLPYRUVATE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code PEP _Chem_comp.PDB_code PEP _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 PEP _Chem_comp.Number_atoms_all 15 _Chem_comp.Number_atoms_nh 10 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8) _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 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C3 H5 O6 P' _Chem_comp.Formula_weight 168.042 _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 1ONE _Chem_comp.Processing_site RCSB _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 C=C(C(=O)O)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 50386 PEP C=C(C(=O)O)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 50386 PEP DTBNBXWJWCWCIK-UHFFFAOYSA-N InChIKey InChI 1.03 50386 PEP InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8) InChI InChI 1.03 50386 PEP O=C(O)C(\OP(=O)(O)O)=C SMILES ACDLabs 10.04 50386 PEP OC(=O)C(=C)O[P](O)(O)=O SMILES CACTVS 3.341 50386 PEP OC(=O)C(=C)O[P](O)(O)=O SMILES_CANONICAL CACTVS 3.341 50386 PEP 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 '2-(phosphonooxy)prop-2-enoic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 50386 PEP '2-phosphonooxyprop-2-enoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 50386 PEP 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 C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . 47.020 . -7.698 . 24.673 . 0.334 -0.083 1.960 1 . 50386 PEP O1 O1 O1 O1 . O . . N 0 . . . 1 no no . . . . 47.137 . -7.876 . 25.944 . 1.524 -0.292 1.834 2 . 50386 PEP O2' O2' O2' O2' . O . . N 0 . . . 1 no no . . . . 47.971 . -7.601 . 23.936 . -0.130 0.515 3.074 3 . 50386 PEP C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 45.590 . -7.507 . 24.205 . -0.601 -0.484 0.894 4 . 50386 PEP C3 C3 C3 C3 . C . . N 0 . . . 1 no no . . . . 44.434 . -7.601 . 24.906 . -1.907 -0.254 1.032 5 . 50386 PEP O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . 45.459 . -7.359 . 22.836 . -0.131 -1.088 -0.229 6 . 50386 PEP P P P P . P . . N 0 . . . 1 no no . . . . 45.141 . -8.531 . 21.826 . 0.110 0.074 -1.316 7 . 50386 PEP O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 46.445 . -9.356 . 21.756 . 1.007 1.103 -0.746 8 . 50386 PEP O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 44.787 . -7.826 . 20.552 . 0.786 -0.555 -2.635 9 . 50386 PEP O3P O3P O3P O3P . O . . N 0 . . . 1 no no . . . . 44.086 . -9.381 . 22.432 . -1.299 0.747 -1.705 10 . 50386 PEP HO2 HO2 HO2 HO2 . H . . N 0 . . . 1 no no . . . . 47.884 . -7.469 . 22.999 . 0.482 0.779 3.774 11 . 50386 PEP H31 H31 H31 1H3 . H . . N 0 . . . 1 no no . . . . 44.538 . -7.719 . 25.997 . -2.602 -0.622 0.291 12 . 50386 PEP H32 H32 H32 2H3 . H . . N 0 . . . 1 no no . . . . 43.394 . -7.462 . 24.565 . -2.271 0.300 1.884 13 . 50386 PEP HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 no no . . . . 44.595 . -8.530 . 19.944 . 0.913 0.172 -3.259 14 . 50386 PEP HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 no no . . . . 43.894 . -10.085 . 21.824 . -1.853 0.044 -2.072 15 . 50386 PEP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C1 O1 no N 1 . 50386 PEP 2 . SING C1 O2' no N 2 . 50386 PEP 3 . SING C1 C2 no N 3 . 50386 PEP 4 . SING O2' HO2 no N 4 . 50386 PEP 5 . DOUB C2 C3 no N 5 . 50386 PEP 6 . SING C2 O2 no N 6 . 50386 PEP 7 . SING C3 H31 no N 7 . 50386 PEP 8 . SING C3 H32 no N 8 . 50386 PEP 9 . SING O2 P no N 9 . 50386 PEP 10 . DOUB P O1P no N 10 . 50386 PEP 11 . SING P O2P no N 11 . 50386 PEP 12 . SING P O3P no N 12 . 50386 PEP 13 . SING O2P HOP2 no N 13 . 50386 PEP 14 . SING O3P HOP3 no N 14 . 50386 PEP stop_ save_ save_chem_comp_NEP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NEP _Chem_comp.Entry_ID 50386 _Chem_comp.ID NEP _Chem_comp.Provenance PDB _Chem_comp.Name N1-PHOSPHONOHISTIDINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code NEP _Chem_comp.PDB_code NEP _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 H _Chem_comp.Three_letter_code NEP _Chem_comp.Number_atoms_all 25 _Chem_comp.Number_atoms_nh 15 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C6H10N3O5P/c7-5(6(10)11)1-4-2-9(3-8-4)15(12,13)14/h2-3,5H,1,7H2,(H,10,11)(H2,12,13,14)/t5-/m0/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID HIS _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C6 H10 N3 O5 P' _Chem_comp.Formula_weight 235.134 _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 1EUD _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/C6H10N3O5P/c7-5(6(10)11)1-4-2-9(3-8-4)15(12,13)14/h2-3,5H,1,7H2,(H,10,11)(H2,12,13,14)/t5-/m0/s1 InChI InChI 1.03 50386 NEP MOYPZVWCTBPWEH-YFKPBYRVSA-N InChIKey InChI 1.03 50386 NEP N[C@@H](Cc1cn(cn1)[P](O)(O)=O)C(O)=O SMILES_CANONICAL CACTVS 3.341 50386 NEP N[CH](Cc1cn(cn1)[P](O)(O)=O)C(O)=O SMILES CACTVS 3.341 50386 NEP O=P(O)(O)n1cc(nc1)CC(C(=O)O)N SMILES ACDLabs 10.04 50386 NEP c1c(ncn1P(=O)(O)O)CC(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 50386 NEP c1c(ncn1P(=O)(O)O)C[C@@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 50386 NEP 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 '(2S)-2-amino-3-(1-phosphonoimidazol-4-yl)propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 50386 NEP 1-phosphono-L-histidine 'SYSTEMATIC NAME' ACDLabs 10.04 50386 NEP 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 N N N N . N . . N 0 . . . 1 no no . . . . 13.802 . -8.162 . 17.726 . 1.038 1.222 2.401 1 . 50386 NEP CA CA CA CA . C . . S 0 . . . 1 no no . . . . 14.078 . -6.911 . 17.015 . -0.095 0.412 2.866 2 . 50386 NEP C C C C . C . . N 0 . . . 1 no no . . . . 12.844 . -6.421 . 16.289 . 0.154 -0.035 4.283 3 . 50386 NEP O O O O . O . . N 0 . . . 1 no no . . . . 12.161 . -7.180 . 15.581 . 1.285 -0.211 4.670 4 . 50386 NEP CB CB CB CB . C . . N 0 . . . 1 no no . . . . 15.164 . -7.085 . 15.969 . -0.251 -0.813 1.964 5 . 50386 NEP CG CG CG CG . C . . N 0 . . . 1 yes no . . . . 16.500 . -7.408 . 16.548 . -0.501 -0.365 0.547 6 . 50386 NEP ND1 ND1 ND1 ND1 . N . . N 0 . . . 1 yes no . . . . 17.476 . -8.032 . 15.818 . -1.534 0.379 0.126 7 . 50386 NEP CD2 CD2 CD2 CD2 . C . . N 0 . . . 1 yes no . . . . 17.048 . -7.131 . 17.758 . 0.270 -0.648 -0.519 8 . 50386 NEP CE1 CE1 CE1 CE1 . C . . N 0 . . . 1 yes no . . . . 18.576 . -8.125 . 16.542 . -1.428 0.575 -1.158 9 . 50386 NEP NE2 NE2 NE2 NE2 . N . . N 0 . . . 1 yes no . . . . 18.345 . -7.582 . 17.722 . -0.317 -0.051 -1.602 10 . 50386 NEP P P P P . P . . N 0 . . . 1 no no . . . . 19.583 . -7.735 . 19.056 . 0.225 -0.090 -3.149 11 . 50386 NEP O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 20.549 . -8.854 . 18.726 . -0.776 0.745 -4.091 12 . 50386 NEP O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 20.285 . -6.429 . 19.106 . 1.696 0.561 -3.218 13 . 50386 NEP O3P O3P O3P O3P . O . . N 0 . . . 1 no no . . . . 18.696 . -8.144 . 20.142 . 0.285 -1.494 -3.615 14 . 50386 NEP OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 12.599 . -5.123 . 16.419 . -0.878 -0.237 5.115 15 . 50386 NEP H H H H . H . . N 0 . . . 1 no no . . . . 14.633 . -8.492 . 18.215 . 0.877 1.411 1.423 16 . 50386 NEP H2 H2 H2 HN2 . H . . N 0 . . . 1 no yes . . . . 13.423 . -8.874 . 17.102 . 1.855 0.632 2.452 17 . 50386 NEP HA HA HA HA . H . . N 0 . . . 1 no no . . . . 14.405 . -6.179 . 17.790 . -1.007 1.008 2.829 18 . 50386 NEP HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 14.865 . -7.848 . 15.213 . 0.660 -1.409 2.001 19 . 50386 NEP HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 15.225 . -6.187 . 15.310 . -1.092 -1.414 2.309 20 . 50386 NEP HD2 HD2 HD2 HD2 . H . . N 0 . . . 1 no no . . . . 16.539 . -6.637 . 18.603 . 1.177 -1.233 -0.521 21 . 50386 NEP HE1 HE1 HE1 HE1 . H . . N 0 . . . 1 no no . . . . 19.526 . -8.579 . 16.216 . -2.116 1.142 -1.768 22 . 50386 NEP HOP1 HOP1 HOP1 1HOP . H . . N 0 . . . 0 no no . . . . 21.193 . -8.933 . 19.419 . -0.421 0.697 -4.989 23 . 50386 NEP HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 no no . . . . 20.929 . -6.508 . 19.799 . 1.613 1.472 -2.906 24 . 50386 NEP HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 11.824 . -4.815 . 15.963 . -0.718 -0.524 6.025 25 . 50386 NEP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 50386 NEP 2 . SING N H no N 2 . 50386 NEP 3 . SING N H2 no N 3 . 50386 NEP 4 . SING CA C no N 4 . 50386 NEP 5 . SING CA CB no N 5 . 50386 NEP 6 . SING CA HA no N 6 . 50386 NEP 7 . DOUB C O no N 7 . 50386 NEP 8 . SING C OXT no N 8 . 50386 NEP 9 . SING CB CG no N 9 . 50386 NEP 10 . SING CB HB2 no N 10 . 50386 NEP 11 . SING CB HB3 no N 11 . 50386 NEP 12 . SING CG ND1 yes N 12 . 50386 NEP 13 . DOUB CG CD2 yes N 13 . 50386 NEP 14 . DOUB ND1 CE1 yes N 14 . 50386 NEP 15 . SING CD2 NE2 yes N 15 . 50386 NEP 16 . SING CD2 HD2 no N 16 . 50386 NEP 17 . SING CE1 NE2 yes N 17 . 50386 NEP 18 . SING CE1 HE1 no N 18 . 50386 NEP 19 . SING NE2 P no N 19 . 50386 NEP 20 . SING P O1P no N 20 . 50386 NEP 21 . SING P O2P no N 21 . 50386 NEP 22 . DOUB P O3P no N 22 . 50386 NEP 23 . SING O1P HOP1 no N 23 . 50386 NEP 24 . SING O2P HOP2 no N 24 . 50386 NEP 25 . SING OXT HXT no N 25 . 50386 NEP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50386 _Sample.ID 1 _Sample.Name 'Phosphorylated tEIN' _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 'Phosphorylated tEIN' '[U-13C; U-15N; U-2H; 99% 1HD-Ile,Leu; 99% 1HG-Val]' . . 1 $entity_1 . . 1 . . mM . . . . 50386 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 50386 1 3 TRIS-HCl 'natural abundance' . . . . . . 20 . . mM . . . . 50386 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 50386 1 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 50386 1 6 'magnesium chloride' 'natural abundance' . . . . . . 4 . . mM . . . . 50386 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 50386 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Phosphorylated tEIN' _Sample_condition_list.Details 'Backbone assignment at 313K; ILV assignments at 283K' 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 pH 7.4 . pH 50386 1 pressure 1 . atm 50386 1 temperature 313 . K 50386 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 50386 _Sample_condition_list.ID 2 _Sample_condition_list.Name 'Phosphorylated tEIN' _Sample_condition_list.Details 'Backbone assignment at 313K; ILV assignments at 283K' 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 pH 7.4 . pH 50386 2 pressure 1 . atm 50386 2 temperature 283 . K 50386 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50386 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50386 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50386 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 700 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50386 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker 800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50386 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50386 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50386 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50386 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50386 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50386 1 6 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50386 1 7 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50386 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50386 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name '1H, 13C, 15N backbone; 1H 13C ILV' _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 na na . . . . na 4.7 na direct 1 . . . . . 50386 1 H 1 na na . . . . na 4.7 na direct 1 . . . . . 50386 1 N 15 na na . . . . na 4.7 na direct 1 . . . . . 50386 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50386 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Phosphorylated tEIN backbone' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50386 1 3 '3D HNCO' . . . 50386 1 4 '3D HNCA' . . . 50386 1 5 '3D HNCACB' . . . 50386 1 6 '3D HN(CO)CA' . . . 50386 1 7 '3D HN(COCA)CB' . . . 50386 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50386 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET C C 13 174.807 0.00 . 1 . . . . . 1 MET C . 50386 1 2 . 1 . 1 1 1 MET CA C 13 55.841 0.00 . 1 . . . . . 1 MET CA . 50386 1 3 . 1 . 1 1 1 MET CB C 13 34.465 0.00 . 1 . . . . . 1 MET CB . 50386 1 4 . 1 . 1 2 2 LEU H H 1 8.974 0.00 . 1 . . . . . 2 LEU H . 50386 1 5 . 1 . 1 2 2 LEU C C 13 176.060 1.08 . 1 . . . . . 2 LEU C . 50386 1 6 . 1 . 1 2 2 LEU CA C 13 54.261 0.14 . 1 . . . . . 2 LEU CA . 50386 1 7 . 1 . 1 2 2 LEU CB C 13 42.927 0.03 . 1 . . . . . 2 LEU CB . 50386 1 8 . 1 . 1 2 2 LEU N N 15 124.960 0.03 . 1 . . . . . 2 LEU N . 50386 1 9 . 1 . 1 3 3 LYS H H 1 8.343 0.00 . 1 . . . . . 3 LYS H . 50386 1 10 . 1 . 1 3 3 LYS C C 13 176.202 0.02 . 1 . . . . . 3 LYS C . 50386 1 11 . 1 . 1 3 3 LYS CA C 13 55.212 0.00 . 1 . . . . . 3 LYS CA . 50386 1 12 . 1 . 1 3 3 LYS CB C 13 33.581 0.08 . 1 . . . . . 3 LYS CB . 50386 1 13 . 1 . 1 3 3 LYS N N 15 122.896 0.01 . 1 . . . . . 3 LYS N . 50386 1 14 . 1 . 1 4 4 GLY H H 1 8.524 0.00 . 1 . . . . . 4 GLY H . 50386 1 15 . 1 . 1 4 4 GLY C C 13 171.781 0.03 . 1 . . . . . 4 GLY C . 50386 1 16 . 1 . 1 4 4 GLY CA C 13 44.405 0.03 . 1 . . . . . 4 GLY CA . 50386 1 17 . 1 . 1 4 4 GLY N N 15 114.762 0.01 . 1 . . . . . 4 GLY N . 50386 1 18 . 1 . 1 5 5 VAL H H 1 8.898 0.00 . 1 . . . . . 5 VAL H . 50386 1 19 . 1 . 1 5 5 VAL C C 13 176.017 0.02 . 1 . . . . . 5 VAL C . 50386 1 20 . 1 . 1 5 5 VAL CA C 13 61.179 0.00 . 1 . . . . . 5 VAL CA . 50386 1 21 . 1 . 1 5 5 VAL CB C 13 32.563 0.01 . 1 . . . . . 5 VAL CB . 50386 1 22 . 1 . 1 5 5 VAL N N 15 125.557 0.01 . 1 . . . . . 5 VAL N . 50386 1 23 . 1 . 1 6 6 ALA H H 1 8.898 0.00 . 1 . . . . . 6 ALA H . 50386 1 24 . 1 . 1 6 6 ALA C C 13 175.456 0.03 . 1 . . . . . 6 ALA C . 50386 1 25 . 1 . 1 6 6 ALA CA C 13 52.703 0.00 . 1 . . . . . 6 ALA CA . 50386 1 26 . 1 . 1 6 6 ALA CB C 13 16.494 0.02 . 1 . . . . . 6 ALA CB . 50386 1 27 . 1 . 1 6 6 ALA N N 15 131.813 0.01 . 1 . . . . . 6 ALA N . 50386 1 28 . 1 . 1 7 7 ALA H H 1 8.121 0.00 . 1 . . . . . 7 ALA H . 50386 1 29 . 1 . 1 7 7 ALA C C 13 176.030 0.03 . 1 . . . . . 7 ALA C . 50386 1 30 . 1 . 1 7 7 ALA CA C 13 52.468 0.06 . 1 . . . . . 7 ALA CA . 50386 1 31 . 1 . 1 7 7 ALA CB C 13 21.087 0.03 . 1 . . . . . 7 ALA CB . 50386 1 32 . 1 . 1 7 7 ALA N N 15 128.628 0.02 . 1 . . . . . 7 ALA N . 50386 1 33 . 1 . 1 8 8 SER H H 1 7.644 0.00 . 1 . . . . . 8 SER H . 50386 1 34 . 1 . 1 8 8 SER C C 13 173.381 0.00 . 1 . . . . . 8 SER C . 50386 1 35 . 1 . 1 8 8 SER CA C 13 54.286 0.00 . 1 . . . . . 8 SER CA . 50386 1 36 . 1 . 1 8 8 SER CB C 13 64.164 0.00 . 1 . . . . . 8 SER CB . 50386 1 37 . 1 . 1 8 8 SER N N 15 112.624 0.01 . 1 . . . . . 8 SER N . 50386 1 38 . 1 . 1 9 9 PRO C C 13 175.126 0.00 . 1 . . . . . 9 PRO C . 50386 1 39 . 1 . 1 9 9 PRO CA C 13 62.780 0.00 . 1 . . . . . 9 PRO CA . 50386 1 40 . 1 . 1 9 9 PRO CB C 13 32.377 0.00 . 1 . . . . . 9 PRO CB . 50386 1 41 . 1 . 1 10 10 GLY H H 1 5.642 0.00 . 1 . . . . . 10 GLY H . 50386 1 42 . 1 . 1 10 10 GLY C C 13 171.425 0.03 . 1 . . . . . 10 GLY C . 50386 1 43 . 1 . 1 10 10 GLY CA C 13 42.987 0.04 . 1 . . . . . 10 GLY CA . 50386 1 44 . 1 . 1 10 10 GLY N N 15 102.839 0.02 . 1 . . . . . 10 GLY N . 50386 1 45 . 1 . 1 11 11 ILE H H 1 8.632 0.01 . 1 . . . . . 11 ILE H . 50386 1 46 . 1 . 1 11 11 ILE C C 13 173.945 0.04 . 1 . . . . . 11 ILE C . 50386 1 47 . 1 . 1 11 11 ILE CA C 13 59.118 0.01 . 1 . . . . . 11 ILE CA . 50386 1 48 . 1 . 1 11 11 ILE CB C 13 40.809 0.02 . 1 . . . . . 11 ILE CB . 50386 1 49 . 1 . 1 11 11 ILE N N 15 119.412 0.01 . 1 . . . . . 11 ILE N . 50386 1 50 . 1 . 1 12 12 ALA H H 1 8.967 0.00 . 1 . . . . . 12 ALA H . 50386 1 51 . 1 . 1 12 12 ALA C C 13 175.300 0.02 . 1 . . . . . 12 ALA C . 50386 1 52 . 1 . 1 12 12 ALA CA C 13 49.304 0.02 . 1 . . . . . 12 ALA CA . 50386 1 53 . 1 . 1 12 12 ALA CB C 13 21.948 0.03 . 1 . . . . . 12 ALA CB . 50386 1 54 . 1 . 1 12 12 ALA N N 15 129.067 0.02 . 1 . . . . . 12 ALA N . 50386 1 55 . 1 . 1 13 13 ILE H H 1 8.473 0.00 . 1 . . . . . 13 ILE H . 50386 1 56 . 1 . 1 13 13 ILE C C 13 175.485 0.00 . 1 . . . . . 13 ILE C . 50386 1 57 . 1 . 1 13 13 ILE CA C 13 59.710 0.05 . 1 . . . . . 13 ILE CA . 50386 1 58 . 1 . 1 13 13 ILE CB C 13 40.216 0.00 . 1 . . . . . 13 ILE CB . 50386 1 59 . 1 . 1 13 13 ILE N N 15 121.336 0.01 . 1 . . . . . 13 ILE N . 50386 1 60 . 1 . 1 14 14 GLY H H 1 8.620 0.00 . 1 . . . . . 14 GLY H . 50386 1 61 . 1 . 1 14 14 GLY C C 13 170.509 0.02 . 1 . . . . . 14 GLY C . 50386 1 62 . 1 . 1 14 14 GLY CA C 13 45.244 0.05 . 1 . . . . . 14 GLY CA . 50386 1 63 . 1 . 1 14 14 GLY N N 15 112.103 0.01 . 1 . . . . . 14 GLY N . 50386 1 64 . 1 . 1 15 15 LYS H H 1 8.774 0.00 . 1 . . . . . 15 LYS H . 50386 1 65 . 1 . 1 15 15 LYS C C 13 176.756 0.03 . 1 . . . . . 15 LYS C . 50386 1 66 . 1 . 1 15 15 LYS CA C 13 55.620 0.01 . 1 . . . . . 15 LYS CA . 50386 1 67 . 1 . 1 15 15 LYS CB C 13 33.052 0.03 . 1 . . . . . 15 LYS CB . 50386 1 68 . 1 . 1 15 15 LYS N N 15 120.763 0.02 . 1 . . . . . 15 LYS N . 50386 1 69 . 1 . 1 16 16 ALA H H 1 9.126 0.00 . 1 . . . . . 16 ALA H . 50386 1 70 . 1 . 1 16 16 ALA C C 13 177.911 0.04 . 1 . . . . . 16 ALA C . 50386 1 71 . 1 . 1 16 16 ALA CA C 13 52.067 0.00 . 1 . . . . . 16 ALA CA . 50386 1 72 . 1 . 1 16 16 ALA CB C 13 19.729 0.06 . 1 . . . . . 16 ALA CB . 50386 1 73 . 1 . 1 16 16 ALA N N 15 124.217 0.01 . 1 . . . . . 16 ALA N . 50386 1 74 . 1 . 1 17 17 PHE H H 1 9.240 0.00 . 1 . . . . . 17 PHE H . 50386 1 75 . 1 . 1 17 17 PHE C C 13 173.199 0.02 . 1 . . . . . 17 PHE C . 50386 1 76 . 1 . 1 17 17 PHE CA C 13 56.983 0.01 . 1 . . . . . 17 PHE CA . 50386 1 77 . 1 . 1 17 17 PHE CB C 13 41.495 0.03 . 1 . . . . . 17 PHE CB . 50386 1 78 . 1 . 1 17 17 PHE N N 15 126.959 0.02 . 1 . . . . . 17 PHE N . 50386 1 79 . 1 . 1 18 18 LEU H H 1 7.749 0.00 . 1 . . . . . 18 LEU H . 50386 1 80 . 1 . 1 18 18 LEU C C 13 174.576 0.03 . 1 . . . . . 18 LEU C . 50386 1 81 . 1 . 1 18 18 LEU CA C 13 53.223 0.01 . 1 . . . . . 18 LEU CA . 50386 1 82 . 1 . 1 18 18 LEU CB C 13 40.930 0.13 . 1 . . . . . 18 LEU CB . 50386 1 83 . 1 . 1 18 18 LEU N N 15 130.896 0.02 . 1 . . . . . 18 LEU N . 50386 1 84 . 1 . 1 19 19 TYR H H 1 9.095 0.00 . 1 . . . . . 19 TYR H . 50386 1 85 . 1 . 1 19 19 TYR C C 13 174.173 0.40 . 1 . . . . . 19 TYR C . 50386 1 86 . 1 . 1 19 19 TYR CA C 13 55.324 0.01 . 1 . . . . . 19 TYR CA . 50386 1 87 . 1 . 1 19 19 TYR CB C 13 38.269 0.01 . 1 . . . . . 19 TYR CB . 50386 1 88 . 1 . 1 19 19 TYR N N 15 129.159 0.02 . 1 . . . . . 19 TYR N . 50386 1 89 . 1 . 1 20 20 THR H H 1 7.606 0.00 . 1 . . . . . 20 THR H . 50386 1 90 . 1 . 1 20 20 THR C C 13 172.918 0.04 . 1 . . . . . 20 THR C . 50386 1 91 . 1 . 1 20 20 THR CA C 13 59.541 0.03 . 1 . . . . . 20 THR CA . 50386 1 92 . 1 . 1 20 20 THR CB C 13 69.787 0.06 . 1 . . . . . 20 THR CB . 50386 1 93 . 1 . 1 20 20 THR N N 15 118.932 0.01 . 1 . . . . . 20 THR N . 50386 1 94 . 1 . 1 21 21 LYS H H 1 8.046 0.00 . 1 . . . . . 21 LYS H . 50386 1 95 . 1 . 1 21 21 LYS C C 13 176.271 0.00 . 1 . . . . . 21 LYS C . 50386 1 96 . 1 . 1 21 21 LYS CA C 13 55.222 0.01 . 1 . . . . . 21 LYS CA . 50386 1 97 . 1 . 1 21 21 LYS CB C 13 32.158 0.08 . 1 . . . . . 21 LYS CB . 50386 1 98 . 1 . 1 21 21 LYS N N 15 123.087 0.00 . 1 . . . . . 21 LYS N . 50386 1 99 . 1 . 1 22 22 GLU H H 1 8.379 0.00 . 1 . . . . . 22 GLU H . 50386 1 100 . 1 . 1 22 22 GLU C C 13 176.161 0.01 . 1 . . . . . 22 GLU C . 50386 1 101 . 1 . 1 22 22 GLU CA C 13 55.539 0.00 . 1 . . . . . 22 GLU CA . 50386 1 102 . 1 . 1 22 22 GLU CB C 13 29.825 0.01 . 1 . . . . . 22 GLU CB . 50386 1 103 . 1 . 1 22 22 GLU N N 15 123.950 0.02 . 1 . . . . . 22 GLU N . 50386 1 104 . 1 . 1 23 23 LYS H H 1 8.350 0.00 . 1 . . . . . 23 LYS H . 50386 1 105 . 1 . 1 23 23 LYS C C 13 176.671 0.03 . 1 . . . . . 23 LYS C . 50386 1 106 . 1 . 1 23 23 LYS CA C 13 55.636 0.04 . 1 . . . . . 23 LYS CA . 50386 1 107 . 1 . 1 23 23 LYS CB C 13 32.085 0.04 . 1 . . . . . 23 LYS CB . 50386 1 108 . 1 . 1 23 23 LYS N N 15 123.947 0.02 . 1 . . . . . 23 LYS N . 50386 1 109 . 1 . 1 24 24 VAL H H 1 8.162 0.01 . 1 . . . . . 24 VAL H . 50386 1 110 . 1 . 1 24 24 VAL C C 13 175.648 0.02 . 1 . . . . . 24 VAL C . 50386 1 111 . 1 . 1 24 24 VAL CA C 13 61.466 0.00 . 1 . . . . . 24 VAL CA . 50386 1 112 . 1 . 1 24 24 VAL CB C 13 32.188 0.02 . 1 . . . . . 24 VAL CB . 50386 1 113 . 1 . 1 24 24 VAL N N 15 122.801 0.02 . 1 . . . . . 24 VAL N . 50386 1 114 . 1 . 1 25 25 THR H H 1 8.127 0.00 . 1 . . . . . 25 THR H . 50386 1 115 . 1 . 1 25 25 THR C C 13 173.216 0.02 . 1 . . . . . 25 THR C . 50386 1 116 . 1 . 1 25 25 THR CA C 13 61.330 0.03 . 1 . . . . . 25 THR CA . 50386 1 117 . 1 . 1 25 25 THR CB C 13 69.344 0.01 . 1 . . . . . 25 THR CB . 50386 1 118 . 1 . 1 25 25 THR N N 15 121.744 0.03 . 1 . . . . . 25 THR N . 50386 1 119 . 1 . 1 26 26 ILE H H 1 7.955 0.01 . 1 . . . . . 26 ILE H . 50386 1 120 . 1 . 1 26 26 ILE C C 13 176.051 0.03 . 1 . . . . . 26 ILE C . 50386 1 121 . 1 . 1 26 26 ILE CA C 13 58.743 0.01 . 1 . . . . . 26 ILE CA . 50386 1 122 . 1 . 1 26 26 ILE CB C 13 36.959 0.01 . 1 . . . . . 26 ILE CB . 50386 1 123 . 1 . 1 26 26 ILE N N 15 126.149 0.03 . 1 . . . . . 26 ILE N . 50386 1 124 . 1 . 1 27 27 ASN H H 1 9.319 0.00 . 1 . . . . . 27 ASN H . 50386 1 125 . 1 . 1 27 27 ASN C C 13 175.677 0.03 . 1 . . . . . 27 ASN C . 50386 1 126 . 1 . 1 27 27 ASN CA C 13 52.820 0.00 . 1 . . . . . 27 ASN CA . 50386 1 127 . 1 . 1 27 27 ASN CB C 13 38.571 0.04 . 1 . . . . . 27 ASN CB . 50386 1 128 . 1 . 1 27 27 ASN N N 15 127.566 0.03 . 1 . . . . . 27 ASN N . 50386 1 129 . 1 . 1 28 28 VAL H H 1 7.984 0.00 . 1 . . . . . 28 VAL H . 50386 1 130 . 1 . 1 28 28 VAL C C 13 176.823 0.03 . 1 . . . . . 28 VAL C . 50386 1 131 . 1 . 1 28 28 VAL CA C 13 60.766 0.07 . 1 . . . . . 28 VAL CA . 50386 1 132 . 1 . 1 28 28 VAL CB C 13 30.578 0.03 . 1 . . . . . 28 VAL CB . 50386 1 133 . 1 . 1 28 28 VAL N N 15 117.533 0.01 . 1 . . . . . 28 VAL N . 50386 1 134 . 1 . 1 29 29 GLU H H 1 7.900 0.00 . 1 . . . . . 29 GLU H . 50386 1 135 . 1 . 1 29 29 GLU C C 13 176.477 0.03 . 1 . . . . . 29 GLU C . 50386 1 136 . 1 . 1 29 29 GLU CA C 13 56.103 0.00 . 1 . . . . . 29 GLU CA . 50386 1 137 . 1 . 1 29 29 GLU CB C 13 29.662 0.02 . 1 . . . . . 29 GLU CB . 50386 1 138 . 1 . 1 29 29 GLU N N 15 123.610 0.01 . 1 . . . . . 29 GLU N . 50386 1 139 . 1 . 1 30 30 LYS H H 1 8.288 0.00 . 1 . . . . . 30 LYS H . 50386 1 140 . 1 . 1 30 30 LYS C C 13 178.370 0.01 . 1 . . . . . 30 LYS C . 50386 1 141 . 1 . 1 30 30 LYS CA C 13 55.300 0.01 . 1 . . . . . 30 LYS CA . 50386 1 142 . 1 . 1 30 30 LYS CB C 13 32.404 0.03 . 1 . . . . . 30 LYS CB . 50386 1 143 . 1 . 1 30 30 LYS N N 15 122.256 0.02 . 1 . . . . . 30 LYS N . 50386 1 144 . 1 . 1 31 31 ILE H H 1 8.085 0.00 . 1 . . . . . 31 ILE H . 50386 1 145 . 1 . 1 31 31 ILE C C 13 175.511 0.03 . 1 . . . . . 31 ILE C . 50386 1 146 . 1 . 1 31 31 ILE CA C 13 59.246 0.00 . 1 . . . . . 31 ILE CA . 50386 1 147 . 1 . 1 31 31 ILE CB C 13 39.407 0.01 . 1 . . . . . 31 ILE CB . 50386 1 148 . 1 . 1 31 31 ILE N N 15 116.455 0.01 . 1 . . . . . 31 ILE N . 50386 1 149 . 1 . 1 32 32 GLU H H 1 7.859 0.00 . 1 . . . . . 32 GLU H . 50386 1 150 . 1 . 1 32 32 GLU C C 13 178.433 0.02 . 1 . . . . . 32 GLU C . 50386 1 151 . 1 . 1 32 32 GLU CA C 13 55.417 0.00 . 1 . . . . . 32 GLU CA . 50386 1 152 . 1 . 1 32 32 GLU CB C 13 30.305 0.00 . 1 . . . . . 32 GLU CB . 50386 1 153 . 1 . 1 32 32 GLU N N 15 118.522 0.01 . 1 . . . . . 32 GLU N . 50386 1 154 . 1 . 1 33 33 GLU H H 1 9.040 0.00 . 1 . . . . . 33 GLU H . 50386 1 155 . 1 . 1 33 33 GLU C C 13 178.657 0.07 . 1 . . . . . 33 GLU C . 50386 1 156 . 1 . 1 33 33 GLU CA C 13 59.525 0.01 . 1 . . . . . 33 GLU CA . 50386 1 157 . 1 . 1 33 33 GLU CB C 13 28.723 0.07 . 1 . . . . . 33 GLU CB . 50386 1 158 . 1 . 1 33 33 GLU N N 15 122.850 0.02 . 1 . . . . . 33 GLU N . 50386 1 159 . 1 . 1 34 34 SER H H 1 8.121 0.00 . 1 . . . . . 34 SER H . 50386 1 160 . 1 . 1 34 34 SER C C 13 175.676 0.01 . 1 . . . . . 34 SER C . 50386 1 161 . 1 . 1 34 34 SER CA C 13 59.552 0.03 . 1 . . . . . 34 SER CA . 50386 1 162 . 1 . 1 34 34 SER CB C 13 62.002 0.04 . 1 . . . . . 34 SER CB . 50386 1 163 . 1 . 1 34 34 SER N N 15 112.064 0.03 . 1 . . . . . 34 SER N . 50386 1 164 . 1 . 1 35 35 LYS H H 1 7.995 0.00 . 1 . . . . . 35 LYS H . 50386 1 165 . 1 . 1 35 35 LYS C C 13 176.736 0.03 . 1 . . . . . 35 LYS C . 50386 1 166 . 1 . 1 35 35 LYS CA C 13 54.990 0.00 . 1 . . . . . 35 LYS CA . 50386 1 167 . 1 . 1 35 35 LYS CB C 13 32.008 0.03 . 1 . . . . . 35 LYS CB . 50386 1 168 . 1 . 1 35 35 LYS N N 15 121.747 0.05 . 1 . . . . . 35 LYS N . 50386 1 169 . 1 . 1 36 36 VAL H H 1 7.364 0.00 . 1 . . . . . 36 VAL H . 50386 1 170 . 1 . 1 36 36 VAL C C 13 177.465 0.02 . 1 . . . . . 36 VAL C . 50386 1 171 . 1 . 1 36 36 VAL CA C 13 66.739 0.00 . 1 . . . . . 36 VAL CA . 50386 1 172 . 1 . 1 36 36 VAL CB C 13 31.674 0.05 . 1 . . . . . 36 VAL CB . 50386 1 173 . 1 . 1 36 36 VAL N N 15 122.460 0.01 . 1 . . . . . 36 VAL N . 50386 1 174 . 1 . 1 37 37 GLU H H 1 8.539 0.00 . 1 . . . . . 37 GLU H . 50386 1 175 . 1 . 1 37 37 GLU C C 13 179.760 0.01 . 1 . . . . . 37 GLU C . 50386 1 176 . 1 . 1 37 37 GLU CA C 13 59.793 0.00 . 1 . . . . . 37 GLU CA . 50386 1 177 . 1 . 1 37 37 GLU CB C 13 27.988 0.01 . 1 . . . . . 37 GLU CB . 50386 1 178 . 1 . 1 37 37 GLU N N 15 117.844 0.01 . 1 . . . . . 37 GLU N . 50386 1 179 . 1 . 1 38 38 GLU H H 1 7.994 0.00 . 1 . . . . . 38 GLU H . 50386 1 180 . 1 . 1 38 38 GLU C C 13 179.006 0.01 . 1 . . . . . 38 GLU C . 50386 1 181 . 1 . 1 38 38 GLU CA C 13 58.843 0.03 . 1 . . . . . 38 GLU CA . 50386 1 182 . 1 . 1 38 38 GLU CB C 13 28.852 0.11 . 1 . . . . . 38 GLU CB . 50386 1 183 . 1 . 1 38 38 GLU N N 15 121.406 0.03 . 1 . . . . . 38 GLU N . 50386 1 184 . 1 . 1 39 39 GLU H H 1 8.187 0.00 . 1 . . . . . 39 GLU H . 50386 1 185 . 1 . 1 39 39 GLU C C 13 179.322 0.02 . 1 . . . . . 39 GLU C . 50386 1 186 . 1 . 1 39 39 GLU CA C 13 59.023 0.02 . 1 . . . . . 39 GLU CA . 50386 1 187 . 1 . 1 39 39 GLU CB C 13 29.018 0.00 . 1 . . . . . 39 GLU CB . 50386 1 188 . 1 . 1 39 39 GLU N N 15 122.261 0.03 . 1 . . . . . 39 GLU N . 50386 1 189 . 1 . 1 40 40 ILE H H 1 8.569 0.00 . 1 . . . . . 40 ILE H . 50386 1 190 . 1 . 1 40 40 ILE C C 13 178.046 0.00 . 1 . . . . . 40 ILE C . 50386 1 191 . 1 . 1 40 40 ILE CA C 13 65.879 0.02 . 1 . . . . . 40 ILE CA . 50386 1 192 . 1 . 1 40 40 ILE CB C 13 36.819 0.04 . 1 . . . . . 40 ILE CB . 50386 1 193 . 1 . 1 40 40 ILE N N 15 120.698 0.01 . 1 . . . . . 40 ILE N . 50386 1 194 . 1 . 1 41 41 ALA H H 1 8.185 0.00 . 1 . . . . . 41 ALA H . 50386 1 195 . 1 . 1 41 41 ALA C C 13 181.200 0.02 . 1 . . . . . 41 ALA C . 50386 1 196 . 1 . 1 41 41 ALA CA C 13 55.187 0.04 . 1 . . . . . 41 ALA CA . 50386 1 197 . 1 . 1 41 41 ALA CB C 13 17.264 0.06 . 1 . . . . . 41 ALA CB . 50386 1 198 . 1 . 1 41 41 ALA N N 15 122.649 0.02 . 1 . . . . . 41 ALA N . 50386 1 199 . 1 . 1 42 42 LYS H H 1 8.220 0.01 . 1 . . . . . 42 LYS H . 50386 1 200 . 1 . 1 42 42 LYS C C 13 179.957 0.01 . 1 . . . . . 42 LYS C . 50386 1 201 . 1 . 1 42 42 LYS CA C 13 59.570 0.02 . 1 . . . . . 42 LYS CA . 50386 1 202 . 1 . 1 42 42 LYS CB C 13 31.632 0.03 . 1 . . . . . 42 LYS CB . 50386 1 203 . 1 . 1 42 42 LYS N N 15 120.191 0.04 . 1 . . . . . 42 LYS N . 50386 1 204 . 1 . 1 43 43 PHE H H 1 8.203 0.00 . 1 . . . . . 43 PHE H . 50386 1 205 . 1 . 1 43 43 PHE C C 13 175.606 0.03 . 1 . . . . . 43 PHE C . 50386 1 206 . 1 . 1 43 43 PHE CA C 13 60.096 0.03 . 1 . . . . . 43 PHE CA . 50386 1 207 . 1 . 1 43 43 PHE CB C 13 37.474 0.01 . 1 . . . . . 43 PHE CB . 50386 1 208 . 1 . 1 43 43 PHE N N 15 120.971 0.02 . 1 . . . . . 43 PHE N . 50386 1 209 . 1 . 1 44 44 ARG H H 1 8.748 0.00 . 1 . . . . . 44 ARG H . 50386 1 210 . 1 . 1 44 44 ARG C C 13 179.567 0.03 . 1 . . . . . 44 ARG C . 50386 1 211 . 1 . 1 44 44 ARG CA C 13 58.993 0.02 . 1 . . . . . 44 ARG CA . 50386 1 212 . 1 . 1 44 44 ARG CB C 13 28.209 0.11 . 1 . . . . . 44 ARG CB . 50386 1 213 . 1 . 1 44 44 ARG N N 15 119.084 0.01 . 1 . . . . . 44 ARG N . 50386 1 214 . 1 . 1 45 45 LYS H H 1 7.995 0.00 . 1 . . . . . 45 LYS H . 50386 1 215 . 1 . 1 45 45 LYS C C 13 177.862 0.14 . 1 . . . . . 45 LYS C . 50386 1 216 . 1 . 1 45 45 LYS CA C 13 58.162 0.00 . 1 . . . . . 45 LYS CA . 50386 1 217 . 1 . 1 45 45 LYS CB C 13 30.784 0.07 . 1 . . . . . 45 LYS CB . 50386 1 218 . 1 . 1 45 45 LYS N N 15 120.325 0.02 . 1 . . . . . 45 LYS N . 50386 1 219 . 1 . 1 46 46 ALA H H 1 8.059 0.00 . 1 . . . . . 46 ALA H . 50386 1 220 . 1 . 1 46 46 ALA C C 13 181.740 0.02 . 1 . . . . . 46 ALA C . 50386 1 221 . 1 . 1 46 46 ALA CA C 13 54.477 0.01 . 1 . . . . . 46 ALA CA . 50386 1 222 . 1 . 1 46 46 ALA CB C 13 18.072 0.04 . 1 . . . . . 46 ALA CB . 50386 1 223 . 1 . 1 46 46 ALA N N 15 121.602 0.01 . 1 . . . . . 46 ALA N . 50386 1 224 . 1 . 1 47 47 LEU H H 1 8.803 0.00 . 1 . . . . . 47 LEU H . 50386 1 225 . 1 . 1 47 47 LEU C C 13 178.103 0.04 . 1 . . . . . 47 LEU C . 50386 1 226 . 1 . 1 47 47 LEU CA C 13 57.846 0.00 . 1 . . . . . 47 LEU CA . 50386 1 227 . 1 . 1 47 47 LEU CB C 13 40.843 0.01 . 1 . . . . . 47 LEU CB . 50386 1 228 . 1 . 1 47 47 LEU N N 15 123.698 0.02 . 1 . . . . . 47 LEU N . 50386 1 229 . 1 . 1 48 48 GLU H H 1 7.681 0.00 . 1 . . . . . 48 GLU H . 50386 1 230 . 1 . 1 48 48 GLU C C 13 179.721 0.01 . 1 . . . . . 48 GLU C . 50386 1 231 . 1 . 1 48 48 GLU CA C 13 59.477 0.00 . 1 . . . . . 48 GLU CA . 50386 1 232 . 1 . 1 48 48 GLU CB C 13 28.898 0.00 . 1 . . . . . 48 GLU CB . 50386 1 233 . 1 . 1 48 48 GLU N N 15 121.133 0.01 . 1 . . . . . 48 GLU N . 50386 1 234 . 1 . 1 49 49 VAL H H 1 8.169 0.00 . 1 . . . . . 49 VAL H . 50386 1 235 . 1 . 1 49 49 VAL C C 13 178.543 0.01 . 1 . . . . . 49 VAL C . 50386 1 236 . 1 . 1 49 49 VAL CA C 13 65.670 0.01 . 1 . . . . . 49 VAL CA . 50386 1 237 . 1 . 1 49 49 VAL CB C 13 31.376 0.00 . 1 . . . . . 49 VAL CB . 50386 1 238 . 1 . 1 49 49 VAL N N 15 119.436 0.04 . 1 . . . . . 49 VAL N . 50386 1 239 . 1 . 1 50 50 THR H H 1 8.044 0.00 . 1 . . . . . 50 THR H . 50386 1 240 . 1 . 1 50 50 THR C C 13 175.964 0.07 . 1 . . . . . 50 THR C . 50386 1 241 . 1 . 1 50 50 THR CA C 13 67.592 0.03 . 1 . . . . . 50 THR CA . 50386 1 242 . 1 . 1 50 50 THR CB C 13 68.773 0.00 . 1 . . . . . 50 THR CB . 50386 1 243 . 1 . 1 50 50 THR N N 15 118.760 0.04 . 1 . . . . . 50 THR N . 50386 1 244 . 1 . 1 51 51 GLN H H 1 8.512 0.00 . 1 . . . . . 51 GLN H . 50386 1 245 . 1 . 1 51 51 GLN C C 13 177.839 0.02 . 1 . . . . . 51 GLN C . 50386 1 246 . 1 . 1 51 51 GLN CA C 13 59.694 0.09 . 1 . . . . . 51 GLN CA . 50386 1 247 . 1 . 1 51 51 GLN CB C 13 27.449 0.42 . 1 . . . . . 51 GLN CB . 50386 1 248 . 1 . 1 51 51 GLN N N 15 120.823 0.01 . 1 . . . . . 51 GLN N . 50386 1 249 . 1 . 1 52 52 GLU H H 1 7.895 0.00 . 1 . . . . . 52 GLU H . 50386 1 250 . 1 . 1 52 52 GLU C C 13 179.170 0.02 . 1 . . . . . 52 GLU C . 50386 1 251 . 1 . 1 52 52 GLU CA C 13 59.201 0.03 . 1 . . . . . 52 GLU CA . 50386 1 252 . 1 . 1 52 52 GLU CB C 13 28.740 0.07 . 1 . . . . . 52 GLU CB . 50386 1 253 . 1 . 1 52 52 GLU N N 15 119.311 0.02 . 1 . . . . . 52 GLU N . 50386 1 254 . 1 . 1 53 53 GLU H H 1 8.363 0.00 . 1 . . . . . 53 GLU H . 50386 1 255 . 1 . 1 53 53 GLU C C 13 179.706 0.00 . 1 . . . . . 53 GLU C . 50386 1 256 . 1 . 1 53 53 GLU CA C 13 59.245 0.00 . 1 . . . . . 53 GLU CA . 50386 1 257 . 1 . 1 53 53 GLU CB C 13 29.053 0.00 . 1 . . . . . 53 GLU CB . 50386 1 258 . 1 . 1 53 53 GLU N N 15 120.266 0.02 . 1 . . . . . 53 GLU N . 50386 1 259 . 1 . 1 54 54 ILE C C 13 177.794 0.00 . 1 . . . . . 54 ILE C . 50386 1 260 . 1 . 1 54 54 ILE CA C 13 65.148 0.00 . 1 . . . . . 54 ILE CA . 50386 1 261 . 1 . 1 54 54 ILE CB C 13 37.069 0.00 . 1 . . . . . 54 ILE CB . 50386 1 262 . 1 . 1 55 55 GLU H H 1 8.393 0.00 . 1 . . . . . 55 GLU H . 50386 1 263 . 1 . 1 55 55 GLU C C 13 179.168 0.02 . 1 . . . . . 55 GLU C . 50386 1 264 . 1 . 1 55 55 GLU CA C 13 59.690 0.13 . 1 . . . . . 55 GLU CA . 50386 1 265 . 1 . 1 55 55 GLU CB C 13 27.846 0.02 . 1 . . . . . 55 GLU CB . 50386 1 266 . 1 . 1 55 55 GLU N N 15 121.264 0.02 . 1 . . . . . 55 GLU N . 50386 1 267 . 1 . 1 56 56 LYS H H 1 7.885 0.00 . 1 . . . . . 56 LYS H . 50386 1 268 . 1 . 1 56 56 LYS C C 13 180.072 0.01 . 1 . . . . . 56 LYS C . 50386 1 269 . 1 . 1 56 56 LYS CA C 13 59.093 0.01 . 1 . . . . . 56 LYS CA . 50386 1 270 . 1 . 1 56 56 LYS CB C 13 31.300 0.00 . 1 . . . . . 56 LYS CB . 50386 1 271 . 1 . 1 56 56 LYS N N 15 119.279 0.02 . 1 . . . . . 56 LYS N . 50386 1 272 . 1 . 1 57 57 ILE H H 1 7.919 0.01 . 1 . . . . . 57 ILE H . 50386 1 273 . 1 . 1 57 57 ILE C C 13 177.786 0.01 . 1 . . . . . 57 ILE C . 50386 1 274 . 1 . 1 57 57 ILE CA C 13 64.816 0.00 . 1 . . . . . 57 ILE CA . 50386 1 275 . 1 . 1 57 57 ILE CB C 13 36.831 0.06 . 1 . . . . . 57 ILE CB . 50386 1 276 . 1 . 1 57 57 ILE N N 15 122.688 0.04 . 1 . . . . . 57 ILE N . 50386 1 277 . 1 . 1 58 58 LYS H H 1 8.532 0.00 . 1 . . . . . 58 LYS H . 50386 1 278 . 1 . 1 58 58 LYS C C 13 177.810 0.02 . 1 . . . . . 58 LYS C . 50386 1 279 . 1 . 1 58 58 LYS CA C 13 60.111 0.03 . 1 . . . . . 58 LYS CA . 50386 1 280 . 1 . 1 58 58 LYS CB C 13 31.069 0.07 . 1 . . . . . 58 LYS CB . 50386 1 281 . 1 . 1 58 58 LYS N N 15 122.505 0.02 . 1 . . . . . 58 LYS N . 50386 1 282 . 1 . 1 59 59 GLU H H 1 8.007 0.00 . 1 . . . . . 59 GLU H . 50386 1 283 . 1 . 1 59 59 GLU C C 13 179.094 0.02 . 1 . . . . . 59 GLU C . 50386 1 284 . 1 . 1 59 59 GLU CA C 13 58.968 0.00 . 1 . . . . . 59 GLU CA . 50386 1 285 . 1 . 1 59 59 GLU CB C 13 28.873 0.05 . 1 . . . . . 59 GLU CB . 50386 1 286 . 1 . 1 59 59 GLU N N 15 118.655 0.04 . 1 . . . . . 59 GLU N . 50386 1 287 . 1 . 1 60 60 LYS H H 1 7.712 0.00 . 1 . . . . . 60 LYS H . 50386 1 288 . 1 . 1 60 60 LYS C C 13 178.514 0.02 . 1 . . . . . 60 LYS C . 50386 1 289 . 1 . 1 60 60 LYS CA C 13 59.053 0.01 . 1 . . . . . 60 LYS CA . 50386 1 290 . 1 . 1 60 60 LYS CB C 13 31.542 0.02 . 1 . . . . . 60 LYS CB . 50386 1 291 . 1 . 1 60 60 LYS N N 15 121.091 0.01 . 1 . . . . . 60 LYS N . 50386 1 292 . 1 . 1 61 61 ALA H H 1 8.578 0.00 . 1 . . . . . 61 ALA H . 50386 1 293 . 1 . 1 61 61 ALA C C 13 179.936 0.00 . 1 . . . . . 61 ALA C . 50386 1 294 . 1 . 1 61 61 ALA CA C 13 54.694 0.00 . 1 . . . . . 61 ALA CA . 50386 1 295 . 1 . 1 61 61 ALA CB C 13 17.296 0.02 . 1 . . . . . 61 ALA CB . 50386 1 296 . 1 . 1 61 61 ALA N N 15 122.011 0.03 . 1 . . . . . 61 ALA N . 50386 1 297 . 1 . 1 62 62 LEU H H 1 8.472 0.00 . 1 . . . . . 62 LEU H . 50386 1 298 . 1 . 1 62 62 LEU C C 13 178.974 0.02 . 1 . . . . . 62 LEU C . 50386 1 299 . 1 . 1 62 62 LEU CA C 13 57.681 0.00 . 1 . . . . . 62 LEU CA . 50386 1 300 . 1 . 1 62 62 LEU CB C 13 41.127 0.01 . 1 . . . . . 62 LEU CB . 50386 1 301 . 1 . 1 62 62 LEU N N 15 120.089 0.01 . 1 . . . . . 62 LEU N . 50386 1 302 . 1 . 1 63 63 LYS H H 1 7.563 0.00 . 1 . . . . . 63 LYS H . 50386 1 303 . 1 . 1 63 63 LYS C C 13 178.245 0.02 . 1 . . . . . 63 LYS C . 50386 1 304 . 1 . 1 63 63 LYS CA C 13 58.365 0.01 . 1 . . . . . 63 LYS CA . 50386 1 305 . 1 . 1 63 63 LYS CB C 13 32.071 0.00 . 1 . . . . . 63 LYS CB . 50386 1 306 . 1 . 1 63 63 LYS N N 15 117.897 0.01 . 1 . . . . . 63 LYS N . 50386 1 307 . 1 . 1 64 64 GLU H H 1 8.174 0.00 . 1 . . . . . 64 GLU H . 50386 1 308 . 1 . 1 64 64 GLU C C 13 177.394 0.04 . 1 . . . . . 64 GLU C . 50386 1 309 . 1 . 1 64 64 GLU CA C 13 57.707 0.02 . 1 . . . . . 64 GLU CA . 50386 1 310 . 1 . 1 64 64 GLU CB C 13 29.993 0.02 . 1 . . . . . 64 GLU CB . 50386 1 311 . 1 . 1 64 64 GLU N N 15 116.769 0.01 . 1 . . . . . 64 GLU N . 50386 1 312 . 1 . 1 65 65 PHE H H 1 8.525 0.00 . 1 . . . . . 65 PHE H . 50386 1 313 . 1 . 1 65 65 PHE C C 13 176.584 0.03 . 1 . . . . . 65 PHE C . 50386 1 314 . 1 . 1 65 65 PHE CA C 13 57.677 0.00 . 1 . . . . . 65 PHE CA . 50386 1 315 . 1 . 1 65 65 PHE CB C 13 41.127 0.02 . 1 . . . . . 65 PHE CB . 50386 1 316 . 1 . 1 65 65 PHE N N 15 115.400 0.01 . 1 . . . . . 65 PHE N . 50386 1 317 . 1 . 1 66 66 GLY H H 1 8.100 0.00 . 1 . . . . . 66 GLY H . 50386 1 318 . 1 . 1 66 66 GLY C C 13 174.387 0.03 . 1 . . . . . 66 GLY C . 50386 1 319 . 1 . 1 66 66 GLY CA C 13 44.350 0.01 . 1 . . . . . 66 GLY CA . 50386 1 320 . 1 . 1 66 66 GLY N N 15 110.071 0.02 . 1 . . . . . 66 GLY N . 50386 1 321 . 1 . 1 67 67 LYS H H 1 8.471 0.00 . 1 . . . . . 67 LYS H . 50386 1 322 . 1 . 1 67 67 LYS C C 13 178.198 0.00 . 1 . . . . . 67 LYS C . 50386 1 323 . 1 . 1 67 67 LYS CA C 13 59.383 0.00 . 1 . . . . . 67 LYS CA . 50386 1 324 . 1 . 1 67 67 LYS CB C 13 31.991 0.01 . 1 . . . . . 67 LYS CB . 50386 1 325 . 1 . 1 67 67 LYS N N 15 119.664 0.02 . 1 . . . . . 67 LYS N . 50386 1 326 . 1 . 1 68 68 GLU H H 1 8.871 0.00 . 1 . . . . . 68 GLU H . 50386 1 327 . 1 . 1 68 68 GLU C C 13 177.453 1.68 . 1 . . . . . 68 GLU C . 50386 1 328 . 1 . 1 68 68 GLU CA C 13 59.539 0.02 . 1 . . . . . 68 GLU CA . 50386 1 329 . 1 . 1 68 68 GLU CB C 13 28.078 0.08 . 1 . . . . . 68 GLU CB . 50386 1 330 . 1 . 1 68 68 GLU N N 15 118.660 0.01 . 1 . . . . . 68 GLU N . 50386 1 331 . 1 . 1 69 69 LYS H H 1 7.604 0.00 . 1 . . . . . 69 LYS H . 50386 1 332 . 1 . 1 69 69 LYS C C 13 176.749 1.00 . 1 . . . . . 69 LYS C . 50386 1 333 . 1 . 1 69 69 LYS CA C 13 56.685 0.00 . 1 . . . . . 69 LYS CA . 50386 1 334 . 1 . 1 69 69 LYS CB C 13 31.322 0.08 . 1 . . . . . 69 LYS CB . 50386 1 335 . 1 . 1 69 69 LYS N N 15 117.891 0.02 . 1 . . . . . 69 LYS N . 50386 1 336 . 1 . 1 70 70 ALA H H 1 7.695 0.00 . 1 . . . . . 70 ALA H . 50386 1 337 . 1 . 1 70 70 ALA C C 13 178.548 0.57 . 1 . . . . . 70 ALA C . 50386 1 338 . 1 . 1 70 70 ALA CA C 13 54.411 0.01 . 1 . . . . . 70 ALA CA . 50386 1 339 . 1 . 1 70 70 ALA CB C 13 18.443 0.00 . 1 . . . . . 70 ALA CB . 50386 1 340 . 1 . 1 70 70 ALA N N 15 119.975 0.04 . 1 . . . . . 70 ALA N . 50386 1 341 . 1 . 1 71 71 GLU H H 1 7.874 0.00 . 1 . . . . . 71 GLU H . 50386 1 342 . 1 . 1 71 71 GLU C C 13 179.145 0.02 . 1 . . . . . 71 GLU C . 50386 1 343 . 1 . 1 71 71 GLU CA C 13 58.739 0.00 . 1 . . . . . 71 GLU CA . 50386 1 344 . 1 . 1 71 71 GLU CB C 13 28.858 0.01 . 1 . . . . . 71 GLU CB . 50386 1 345 . 1 . 1 71 71 GLU N N 15 116.918 0.01 . 1 . . . . . 71 GLU N . 50386 1 346 . 1 . 1 72 72 ILE H H 1 7.281 0.00 . 1 . . . . . 72 ILE H . 50386 1 347 . 1 . 1 72 72 ILE C C 13 176.880 0.02 . 1 . . . . . 72 ILE C . 50386 1 348 . 1 . 1 72 72 ILE CA C 13 63.460 0.00 . 1 . . . . . 72 ILE CA . 50386 1 349 . 1 . 1 72 72 ILE CB C 13 36.770 0.04 . 1 . . . . . 72 ILE CB . 50386 1 350 . 1 . 1 72 72 ILE N N 15 119.925 0.02 . 1 . . . . . 72 ILE N . 50386 1 351 . 1 . 1 73 73 PHE H H 1 6.791 0.00 . 1 . . . . . 73 PHE H . 50386 1 352 . 1 . 1 73 73 PHE C C 13 177.806 0.00 . 1 . . . . . 73 PHE C . 50386 1 353 . 1 . 1 73 73 PHE CA C 13 60.004 0.00 . 1 . . . . . 73 PHE CA . 50386 1 354 . 1 . 1 73 73 PHE CB C 13 37.609 0.00 . 1 . . . . . 73 PHE CB . 50386 1 355 . 1 . 1 73 73 PHE N N 15 116.776 0.00 . 1 . . . . . 73 PHE N . 50386 1 356 . 1 . 1 74 74 GLU C C 13 179.338 0.00 . 1 . . . . . 74 GLU C . 50386 1 357 . 1 . 1 74 74 GLU CA C 13 59.045 0.00 . 1 . . . . . 74 GLU CA . 50386 1 358 . 1 . 1 74 74 GLU CB C 13 28.452 0.00 . 1 . . . . . 74 GLU CB . 50386 1 359 . 1 . 1 75 75 ALA H H 1 7.601 0.00 . 1 . . . . . 75 ALA H . 50386 1 360 . 1 . 1 75 75 ALA C C 13 180.595 0.02 . 1 . . . . . 75 ALA C . 50386 1 361 . 1 . 1 75 75 ALA CA C 13 54.833 0.01 . 1 . . . . . 75 ALA CA . 50386 1 362 . 1 . 1 75 75 ALA CB C 13 16.876 0.06 . 1 . . . . . 75 ALA CB . 50386 1 363 . 1 . 1 75 75 ALA N N 15 121.864 0.02 . 1 . . . . . 75 ALA N . 50386 1 364 . 1 . 1 76 76 HIS H H 1 7.942 0.00 . 1 . . . . . 76 HIS H . 50386 1 365 . 1 . 1 76 76 HIS C C 13 177.620 0.00 . 1 . . . . . 76 HIS C . 50386 1 366 . 1 . 1 76 76 HIS CA C 13 59.409 0.03 . 1 . . . . . 76 HIS CA . 50386 1 367 . 1 . 1 76 76 HIS CB C 13 31.160 0.05 . 1 . . . . . 76 HIS CB . 50386 1 368 . 1 . 1 76 76 HIS N N 15 118.256 0.02 . 1 . . . . . 76 HIS N . 50386 1 369 . 1 . 1 77 77 LEU H H 1 8.124 0.00 . 1 . . . . . 77 LEU H . 50386 1 370 . 1 . 1 77 77 LEU C C 13 179.692 0.01 . 1 . . . . . 77 LEU C . 50386 1 371 . 1 . 1 77 77 LEU CA C 13 57.666 0.01 . 1 . . . . . 77 LEU CA . 50386 1 372 . 1 . 1 77 77 LEU CB C 13 40.790 0.04 . 1 . . . . . 77 LEU CB . 50386 1 373 . 1 . 1 77 77 LEU N N 15 119.694 0.01 . 1 . . . . . 77 LEU N . 50386 1 374 . 1 . 1 78 78 MET H H 1 8.009 0.00 . 1 . . . . . 78 MET H . 50386 1 375 . 1 . 1 78 78 MET C C 13 178.695 0.86 . 1 . . . . . 78 MET C . 50386 1 376 . 1 . 1 78 78 MET CA C 13 58.137 0.06 . 1 . . . . . 78 MET CA . 50386 1 377 . 1 . 1 78 78 MET N N 15 120.127 0.05 . 1 . . . . . 78 MET N . 50386 1 378 . 1 . 1 79 79 LEU H H 1 7.992 0.00 . 1 . . . . . 79 LEU H . 50386 1 379 . 1 . 1 79 79 LEU C C 13 178.396 0.02 . 1 . . . . . 79 LEU C . 50386 1 380 . 1 . 1 79 79 LEU CA C 13 57.659 0.02 . 1 . . . . . 79 LEU CA . 50386 1 381 . 1 . 1 79 79 LEU CB C 13 40.978 0.00 . 1 . . . . . 79 LEU CB . 50386 1 382 . 1 . 1 79 79 LEU N N 15 121.160 0.03 . 1 . . . . . 79 LEU N . 50386 1 383 . 1 . 1 80 80 ALA H H 1 7.974 0.00 . 1 . . . . . 80 ALA H . 50386 1 384 . 1 . 1 80 80 ALA C C 13 175.512 0.02 . 1 . . . . . 80 ALA C . 50386 1 385 . 1 . 1 80 80 ALA CA C 13 52.832 0.00 . 1 . . . . . 80 ALA CA . 50386 1 386 . 1 . 1 80 80 ALA CB C 13 17.373 0.02 . 1 . . . . . 80 ALA CB . 50386 1 387 . 1 . 1 80 80 ALA N N 15 116.384 0.01 . 1 . . . . . 80 ALA N . 50386 1 388 . 1 . 1 81 81 SER H H 1 7.234 0.00 . 1 . . . . . 81 SER H . 50386 1 389 . 1 . 1 81 81 SER C C 13 173.873 0.03 . 1 . . . . . 81 SER C . 50386 1 390 . 1 . 1 81 81 SER CA C 13 56.427 0.01 . 1 . . . . . 81 SER CA . 50386 1 391 . 1 . 1 81 81 SER CB C 13 63.486 0.01 . 1 . . . . . 81 SER CB . 50386 1 392 . 1 . 1 81 81 SER N N 15 108.034 0.02 . 1 . . . . . 81 SER N . 50386 1 393 . 1 . 1 82 82 ASP H H 1 7.088 0.00 . 1 . . . . . 82 ASP H . 50386 1 394 . 1 . 1 82 82 ASP C C 13 175.454 0.00 . 1 . . . . . 82 ASP C . 50386 1 395 . 1 . 1 82 82 ASP CA C 13 51.998 0.00 . 1 . . . . . 82 ASP CA . 50386 1 396 . 1 . 1 82 82 ASP CB C 13 42.353 0.00 . 1 . . . . . 82 ASP CB . 50386 1 397 . 1 . 1 82 82 ASP N N 15 125.564 0.02 . 1 . . . . . 82 ASP N . 50386 1 398 . 1 . 1 83 83 PRO C C 13 179.049 0.00 . 1 . . . . . 83 PRO C . 50386 1 399 . 1 . 1 83 83 PRO CA C 13 64.697 0.00 . 1 . . . . . 83 PRO CA . 50386 1 400 . 1 . 1 83 83 PRO CB C 13 31.604 0.00 . 1 . . . . . 83 PRO CB . 50386 1 401 . 1 . 1 84 84 GLU H H 1 8.453 0.00 . 1 . . . . . 84 GLU H . 50386 1 402 . 1 . 1 84 84 GLU C C 13 180.512 0.02 . 1 . . . . . 84 GLU C . 50386 1 403 . 1 . 1 84 84 GLU CA C 13 58.843 0.00 . 1 . . . . . 84 GLU CA . 50386 1 404 . 1 . 1 84 84 GLU CB C 13 28.737 0.01 . 1 . . . . . 84 GLU CB . 50386 1 405 . 1 . 1 84 84 GLU N N 15 117.612 0.00 . 1 . . . . . 84 GLU N . 50386 1 406 . 1 . 1 85 85 LEU H H 1 7.604 0.00 . 1 . . . . . 85 LEU H . 50386 1 407 . 1 . 1 85 85 LEU C C 13 177.659 0.02 . 1 . . . . . 85 LEU C . 50386 1 408 . 1 . 1 85 85 LEU CA C 13 58.045 0.00 . 1 . . . . . 85 LEU CA . 50386 1 409 . 1 . 1 85 85 LEU CB C 13 40.842 0.06 . 1 . . . . . 85 LEU CB . 50386 1 410 . 1 . 1 85 85 LEU N N 15 124.293 0.03 . 1 . . . . . 85 LEU N . 50386 1 411 . 1 . 1 86 86 ILE H H 1 7.522 0.00 . 1 . . . . . 86 ILE H . 50386 1 412 . 1 . 1 86 86 ILE C C 13 177.658 0.02 . 1 . . . . . 86 ILE C . 50386 1 413 . 1 . 1 86 86 ILE CA C 13 65.945 0.01 . 1 . . . . . 86 ILE CA . 50386 1 414 . 1 . 1 86 86 ILE CB C 13 38.090 0.01 . 1 . . . . . 86 ILE CB . 50386 1 415 . 1 . 1 86 86 ILE N N 15 118.645 0.01 . 1 . . . . . 86 ILE N . 50386 1 416 . 1 . 1 87 87 GLU H H 1 8.310 0.00 . 1 . . . . . 87 GLU H . 50386 1 417 . 1 . 1 87 87 GLU C C 13 179.190 0.03 . 1 . . . . . 87 GLU C . 50386 1 418 . 1 . 1 87 87 GLU CA C 13 58.662 0.00 . 1 . . . . . 87 GLU CA . 50386 1 419 . 1 . 1 87 87 GLU CB C 13 28.815 0.02 . 1 . . . . . 87 GLU CB . 50386 1 420 . 1 . 1 87 87 GLU N N 15 117.764 0.01 . 1 . . . . . 87 GLU N . 50386 1 421 . 1 . 1 88 88 GLY H H 1 7.798 0.00 . 1 . . . . . 88 GLY H . 50386 1 422 . 1 . 1 88 88 GLY C C 13 176.860 0.03 . 1 . . . . . 88 GLY C . 50386 1 423 . 1 . 1 88 88 GLY CA C 13 46.725 0.01 . 1 . . . . . 88 GLY CA . 50386 1 424 . 1 . 1 88 88 GLY N N 15 106.756 0.01 . 1 . . . . . 88 GLY N . 50386 1 425 . 1 . 1 89 89 VAL H H 1 8.165 0.00 . 1 . . . . . 89 VAL H . 50386 1 426 . 1 . 1 89 89 VAL C C 13 177.556 0.03 . 1 . . . . . 89 VAL C . 50386 1 427 . 1 . 1 89 89 VAL CA C 13 66.577 0.00 . 1 . . . . . 89 VAL CA . 50386 1 428 . 1 . 1 89 89 VAL CB C 13 31.224 0.04 . 1 . . . . . 89 VAL CB . 50386 1 429 . 1 . 1 89 89 VAL N N 15 123.433 0.02 . 1 . . . . . 89 VAL N . 50386 1 430 . 1 . 1 90 90 GLU H H 1 8.189 0.00 . 1 . . . . . 90 GLU H . 50386 1 431 . 1 . 1 90 90 GLU C C 13 178.958 0.01 . 1 . . . . . 90 GLU C . 50386 1 432 . 1 . 1 90 90 GLU CA C 13 60.892 0.01 . 1 . . . . . 90 GLU CA . 50386 1 433 . 1 . 1 90 90 GLU CB C 13 28.263 0.06 . 1 . . . . . 90 GLU CB . 50386 1 434 . 1 . 1 90 90 GLU N N 15 118.298 0.01 . 1 . . . . . 90 GLU N . 50386 1 435 . 1 . 1 91 91 ASN H H 1 8.672 0.00 . 1 . . . . . 91 ASN H . 50386 1 436 . 1 . 1 91 91 ASN C C 13 178.195 0.02 . 1 . . . . . 91 ASN C . 50386 1 437 . 1 . 1 91 91 ASN CA C 13 55.983 0.01 . 1 . . . . . 91 ASN CA . 50386 1 438 . 1 . 1 91 91 ASN CB C 13 38.015 0.01 . 1 . . . . . 91 ASN CB . 50386 1 439 . 1 . 1 91 91 ASN N N 15 115.217 0.00 . 1 . . . . . 91 ASN N . 50386 1 440 . 1 . 1 92 92 MET H H 1 7.799 0.00 . 1 . . . . . 92 MET H . 50386 1 441 . 1 . 1 92 92 MET C C 13 178.215 0.02 . 1 . . . . . 92 MET C . 50386 1 442 . 1 . 1 92 92 MET CA C 13 59.057 0.01 . 1 . . . . . 92 MET CA . 50386 1 443 . 1 . 1 92 92 MET CB C 13 31.392 0.05 . 1 . . . . . 92 MET CB . 50386 1 444 . 1 . 1 92 92 MET N N 15 123.064 0.02 . 1 . . . . . 92 MET N . 50386 1 445 . 1 . 1 93 93 ILE H H 1 7.989 0.00 . 1 . . . . . 93 ILE H . 50386 1 446 . 1 . 1 93 93 ILE C C 13 177.950 0.21 . 1 . . . . . 93 ILE C . 50386 1 447 . 1 . 1 93 93 ILE CA C 13 66.375 0.00 . 1 . . . . . 93 ILE CA . 50386 1 448 . 1 . 1 93 93 ILE CB C 13 38.301 0.00 . 1 . . . . . 93 ILE CB . 50386 1 449 . 1 . 1 93 93 ILE N N 15 120.321 0.02 . 1 . . . . . 93 ILE N . 50386 1 450 . 1 . 1 94 94 LYS H H 1 7.538 0.00 . 1 . . . . . 94 LYS H . 50386 1 451 . 1 . 1 94 94 LYS C C 13 177.798 0.03 . 1 . . . . . 94 LYS C . 50386 1 452 . 1 . 1 94 94 LYS CA C 13 59.133 0.00 . 1 . . . . . 94 LYS CA . 50386 1 453 . 1 . 1 94 94 LYS CB C 13 32.880 0.00 . 1 . . . . . 94 LYS CB . 50386 1 454 . 1 . 1 94 94 LYS N N 15 113.313 0.01 . 1 . . . . . 94 LYS N . 50386 1 455 . 1 . 1 95 95 THR H H 1 8.228 0.00 . 1 . . . . . 95 THR H . 50386 1 456 . 1 . 1 95 95 THR C C 13 176.272 0.03 . 1 . . . . . 95 THR C . 50386 1 457 . 1 . 1 95 95 THR CA C 13 64.163 0.00 . 1 . . . . . 95 THR CA . 50386 1 458 . 1 . 1 95 95 THR CB C 13 69.635 0.01 . 1 . . . . . 95 THR CB . 50386 1 459 . 1 . 1 95 95 THR N N 15 109.476 0.01 . 1 . . . . . 95 THR N . 50386 1 460 . 1 . 1 96 96 GLU H H 1 8.315 0.00 . 1 . . . . . 96 GLU H . 50386 1 461 . 1 . 1 96 96 GLU C C 13 179.151 0.00 . 1 . . . . . 96 GLU C . 50386 1 462 . 1 . 1 96 96 GLU CA C 13 55.892 0.02 . 1 . . . . . 96 GLU CA . 50386 1 463 . 1 . 1 96 96 GLU CB C 13 29.492 0.01 . 1 . . . . . 96 GLU CB . 50386 1 464 . 1 . 1 96 96 GLU N N 15 120.060 0.01 . 1 . . . . . 96 GLU N . 50386 1 465 . 1 . 1 97 97 LEU H H 1 7.607 0.01 . 1 . . . . . 97 LEU H . 50386 1 466 . 1 . 1 97 97 LEU C C 13 176.744 0.96 . 1 . . . . . 97 LEU C . 50386 1 467 . 1 . 1 97 97 LEU CA C 13 55.543 0.04 . 1 . . . . . 97 LEU CA . 50386 1 468 . 1 . 1 97 97 LEU CB C 13 36.061 0.04 . 1 . . . . . 97 LEU CB . 50386 1 469 . 1 . 1 97 97 LEU N N 15 117.895 0.02 . 1 . . . . . 97 LEU N . 50386 1 470 . 1 . 1 98 98 VAL H H 1 6.408 0.00 . 1 . . . . . 98 VAL H . 50386 1 471 . 1 . 1 98 98 VAL C C 13 174.103 0.02 . 1 . . . . . 98 VAL C . 50386 1 472 . 1 . 1 98 98 VAL CA C 13 57.450 0.01 . 1 . . . . . 98 VAL CA . 50386 1 473 . 1 . 1 98 98 VAL CB C 13 33.681 0.01 . 1 . . . . . 98 VAL CB . 50386 1 474 . 1 . 1 98 98 VAL N N 15 107.822 0.02 . 1 . . . . . 98 VAL N . 50386 1 475 . 1 . 1 99 99 THR H H 1 8.711 0.00 . 1 . . . . . 99 THR H . 50386 1 476 . 1 . 1 99 99 THR C C 13 176.701 0.02 . 1 . . . . . 99 THR C . 50386 1 477 . 1 . 1 99 99 THR CA C 13 60.712 0.00 . 1 . . . . . 99 THR CA . 50386 1 478 . 1 . 1 99 99 THR CB C 13 70.558 0.04 . 1 . . . . . 99 THR CB . 50386 1 479 . 1 . 1 99 99 THR N N 15 106.907 0.01 . 1 . . . . . 99 THR N . 50386 1 480 . 1 . 1 100 100 ALA H H 1 10.574 0.00 . 1 . . . . . 100 ALA H . 50386 1 481 . 1 . 1 100 100 ALA C C 13 178.457 0.02 . 1 . . . . . 100 ALA C . 50386 1 482 . 1 . 1 100 100 ALA CA C 13 55.042 0.01 . 1 . . . . . 100 ALA CA . 50386 1 483 . 1 . 1 100 100 ALA CB C 13 18.694 0.00 . 1 . . . . . 100 ALA CB . 50386 1 484 . 1 . 1 100 100 ALA N N 15 122.208 0.01 . 1 . . . . . 100 ALA N . 50386 1 485 . 1 . 1 101 101 ASP H H 1 9.190 0.00 . 1 . . . . . 101 ASP H . 50386 1 486 . 1 . 1 101 101 ASP C C 13 176.493 0.03 . 1 . . . . . 101 ASP C . 50386 1 487 . 1 . 1 101 101 ASP CA C 13 56.127 0.00 . 1 . . . . . 101 ASP CA . 50386 1 488 . 1 . 1 101 101 ASP CB C 13 39.159 0.02 . 1 . . . . . 101 ASP CB . 50386 1 489 . 1 . 1 101 101 ASP N N 15 112.018 0.01 . 1 . . . . . 101 ASP N . 50386 1 490 . 1 . 1 102 102 ASN H H 1 7.082 0.00 . 1 . . . . . 102 ASN H . 50386 1 491 . 1 . 1 102 102 ASN C C 13 176.686 0.07 . 1 . . . . . 102 ASN C . 50386 1 492 . 1 . 1 102 102 ASN CA C 13 54.844 0.01 . 1 . . . . . 102 ASN CA . 50386 1 493 . 1 . 1 102 102 ASN CB C 13 38.161 0.07 . 1 . . . . . 102 ASN CB . 50386 1 494 . 1 . 1 102 102 ASN N N 15 119.756 0.01 . 1 . . . . . 102 ASN N . 50386 1 495 . 1 . 1 103 103 ALA H H 1 8.557 0.00 . 1 . . . . . 103 ALA H . 50386 1 496 . 1 . 1 103 103 ALA C C 13 179.033 0.03 . 1 . . . . . 103 ALA C . 50386 1 497 . 1 . 1 103 103 ALA CA C 13 54.884 0.00 . 1 . . . . . 103 ALA CA . 50386 1 498 . 1 . 1 103 103 ALA CB C 13 19.553 0.01 . 1 . . . . . 103 ALA CB . 50386 1 499 . 1 . 1 103 103 ALA N N 15 120.032 0.01 . 1 . . . . . 103 ALA N . 50386 1 500 . 1 . 1 104 104 VAL H H 1 8.536 0.00 . 1 . . . . . 104 VAL H . 50386 1 501 . 1 . 1 104 104 VAL C C 13 176.868 0.03 . 1 . . . . . 104 VAL C . 50386 1 502 . 1 . 1 104 104 VAL CA C 13 66.648 0.00 . 1 . . . . . 104 VAL CA . 50386 1 503 . 1 . 1 104 104 VAL CB C 13 31.137 0.01 . 1 . . . . . 104 VAL CB . 50386 1 504 . 1 . 1 104 104 VAL N N 15 115.944 0.01 . 1 . . . . . 104 VAL N . 50386 1 505 . 1 . 1 105 105 ASN H H 1 7.606 0.00 . 1 . . . . . 105 ASN H . 50386 1 506 . 1 . 1 105 105 ASN C C 13 177.010 0.05 . 1 . . . . . 105 ASN C . 50386 1 507 . 1 . 1 105 105 ASN CA C 13 57.340 0.01 . 1 . . . . . 105 ASN CA . 50386 1 508 . 1 . 1 105 105 ASN CB C 13 39.546 0.02 . 1 . . . . . 105 ASN CB . 50386 1 509 . 1 . 1 105 105 ASN N N 15 116.559 0.01 . 1 . . . . . 105 ASN N . 50386 1 510 . 1 . 1 106 106 LYS H H 1 8.604 0.00 . 1 . . . . . 106 LYS H . 50386 1 511 . 1 . 1 106 106 LYS C C 13 179.692 0.01 . 1 . . . . . 106 LYS C . 50386 1 512 . 1 . 1 106 106 LYS CA C 13 59.338 0.04 . 1 . . . . . 106 LYS CA . 50386 1 513 . 1 . 1 106 106 LYS CB C 13 32.056 0.00 . 1 . . . . . 106 LYS CB . 50386 1 514 . 1 . 1 106 106 LYS N N 15 117.531 0.02 . 1 . . . . . 106 LYS N . 50386 1 515 . 1 . 1 107 107 VAL H H 1 8.529 0.00 . 1 . . . . . 107 VAL H . 50386 1 516 . 1 . 1 107 107 VAL C C 13 178.880 0.02 . 1 . . . . . 107 VAL C . 50386 1 517 . 1 . 1 107 107 VAL CA C 13 66.447 0.01 . 1 . . . . . 107 VAL CA . 50386 1 518 . 1 . 1 107 107 VAL CB C 13 31.165 0.04 . 1 . . . . . 107 VAL CB . 50386 1 519 . 1 . 1 107 107 VAL N N 15 121.515 0.05 . 1 . . . . . 107 VAL N . 50386 1 520 . 1 . 1 108 108 ILE H H 1 8.595 0.00 . 1 . . . . . 108 ILE H . 50386 1 521 . 1 . 1 108 108 ILE C C 13 177.860 0.03 . 1 . . . . . 108 ILE C . 50386 1 522 . 1 . 1 108 108 ILE CA C 13 63.131 0.00 . 1 . . . . . 108 ILE CA . 50386 1 523 . 1 . 1 108 108 ILE CB C 13 34.398 0.05 . 1 . . . . . 108 ILE CB . 50386 1 524 . 1 . 1 108 108 ILE N N 15 120.709 0.02 . 1 . . . . . 108 ILE N . 50386 1 525 . 1 . 1 109 109 GLU H H 1 8.110 0.00 . 1 . . . . . 109 GLU H . 50386 1 526 . 1 . 1 109 109 GLU C C 13 179.916 0.02 . 1 . . . . . 109 GLU C . 50386 1 527 . 1 . 1 109 109 GLU CA C 13 59.098 0.01 . 1 . . . . . 109 GLU CA . 50386 1 528 . 1 . 1 109 109 GLU CB C 13 28.413 0.02 . 1 . . . . . 109 GLU CB . 50386 1 529 . 1 . 1 109 109 GLU N N 15 118.807 0.01 . 1 . . . . . 109 GLU N . 50386 1 530 . 1 . 1 110 110 GLN H H 1 8.234 0.00 . 1 . . . . . 110 GLN H . 50386 1 531 . 1 . 1 110 110 GLN C C 13 178.423 0.02 . 1 . . . . . 110 GLN C . 50386 1 532 . 1 . 1 110 110 GLN CA C 13 58.642 0.03 . 1 . . . . . 110 GLN CA . 50386 1 533 . 1 . 1 110 110 GLN CB C 13 27.740 0.06 . 1 . . . . . 110 GLN CB . 50386 1 534 . 1 . 1 110 110 GLN N N 15 119.862 0.01 . 1 . . . . . 110 GLN N . 50386 1 535 . 1 . 1 111 111 ASN H H 1 8.261 0.00 . 1 . . . . . 111 ASN H . 50386 1 536 . 1 . 1 111 111 ASN C C 13 177.980 0.03 . 1 . . . . . 111 ASN C . 50386 1 537 . 1 . 1 111 111 ASN CA C 13 55.980 0.00 . 1 . . . . . 111 ASN CA . 50386 1 538 . 1 . 1 111 111 ASN CB C 13 37.913 0.01 . 1 . . . . . 111 ASN CB . 50386 1 539 . 1 . 1 111 111 ASN N N 15 118.858 0.02 . 1 . . . . . 111 ASN N . 50386 1 540 . 1 . 1 112 112 ALA H H 1 9.260 0.00 . 1 . . . . . 112 ALA H . 50386 1 541 . 1 . 1 112 112 ALA C C 13 179.065 0.03 . 1 . . . . . 112 ALA C . 50386 1 542 . 1 . 1 112 112 ALA CA C 13 55.127 0.01 . 1 . . . . . 112 ALA CA . 50386 1 543 . 1 . 1 112 112 ALA CB C 13 17.269 0.06 . 1 . . . . . 112 ALA CB . 50386 1 544 . 1 . 1 112 112 ALA N N 15 123.815 0.01 . 1 . . . . . 112 ALA N . 50386 1 545 . 1 . 1 113 113 SER H H 1 8.033 0.00 . 1 . . . . . 113 SER H . 50386 1 546 . 1 . 1 113 113 SER C C 13 178.387 0.65 . 1 . . . . . 113 SER C . 50386 1 547 . 1 . 1 113 113 SER CA C 13 61.489 0.00 . 1 . . . . . 113 SER CA . 50386 1 548 . 1 . 1 113 113 SER CB C 13 62.022 0.03 . 1 . . . . . 113 SER CB . 50386 1 549 . 1 . 1 113 113 SER N N 15 113.004 0.04 . 1 . . . . . 113 SER N . 50386 1 550 . 1 . 1 114 114 VAL H H 1 7.481 0.00 . 1 . . . . . 114 VAL H . 50386 1 551 . 1 . 1 114 114 VAL C C 13 179.429 0.02 . 1 . . . . . 114 VAL C . 50386 1 552 . 1 . 1 114 114 VAL CA C 13 65.892 0.01 . 1 . . . . . 114 VAL CA . 50386 1 553 . 1 . 1 114 114 VAL CB C 13 31.203 0.02 . 1 . . . . . 114 VAL CB . 50386 1 554 . 1 . 1 114 114 VAL N N 15 122.866 0.02 . 1 . . . . . 114 VAL N . 50386 1 555 . 1 . 1 115 115 MET H H 1 7.687 0.00 . 1 . . . . . 115 MET H . 50386 1 556 . 1 . 1 115 115 MET C C 13 178.563 0.53 . 1 . . . . . 115 MET C . 50386 1 557 . 1 . 1 115 115 MET CA C 13 59.483 0.00 . 1 . . . . . 115 MET CA . 50386 1 558 . 1 . 1 115 115 MET CB C 13 33.020 0.06 . 1 . . . . . 115 MET CB . 50386 1 559 . 1 . 1 115 115 MET N N 15 120.039 0.03 . 1 . . . . . 115 MET N . 50386 1 560 . 1 . 1 116 116 GLU H H 1 8.123 0.00 . 1 . . . . . 116 GLU H . 50386 1 561 . 1 . 1 116 116 GLU C C 13 177.419 0.02 . 1 . . . . . 116 GLU C . 50386 1 562 . 1 . 1 116 116 GLU CA C 13 57.879 0.01 . 1 . . . . . 116 GLU CA . 50386 1 563 . 1 . 1 116 116 GLU CB C 13 28.800 0.01 . 1 . . . . . 116 GLU CB . 50386 1 564 . 1 . 1 116 116 GLU N N 15 115.522 0.01 . 1 . . . . . 116 GLU N . 50386 1 565 . 1 . 1 117 117 SER H H 1 7.736 0.00 . 1 . . . . . 117 SER H . 50386 1 566 . 1 . 1 117 117 SER C C 13 174.618 0.03 . 1 . . . . . 117 SER C . 50386 1 567 . 1 . 1 117 117 SER CA C 13 59.296 0.01 . 1 . . . . . 117 SER CA . 50386 1 568 . 1 . 1 117 117 SER CB C 13 63.493 0.02 . 1 . . . . . 117 SER CB . 50386 1 569 . 1 . 1 117 117 SER N N 15 115.077 0.01 . 1 . . . . . 117 SER N . 50386 1 570 . 1 . 1 118 118 LEU H H 1 7.040 0.00 . 1 . . . . . 118 LEU H . 50386 1 571 . 1 . 1 118 118 LEU C C 13 176.725 0.00 . 1 . . . . . 118 LEU C . 50386 1 572 . 1 . 1 118 118 LEU CA C 13 54.960 0.00 . 1 . . . . . 118 LEU CA . 50386 1 573 . 1 . 1 118 118 LEU CB C 13 41.283 0.00 . 1 . . . . . 118 LEU CB . 50386 1 574 . 1 . 1 118 118 LEU N N 15 122.097 0.01 . 1 . . . . . 118 LEU N . 50386 1 575 . 1 . 1 121 121 GLU C C 13 178.018 0.00 . 1 . . . . . 121 GLU C . 50386 1 576 . 1 . 1 121 121 GLU CA C 13 59.483 0.00 . 1 . . . . . 121 GLU CA . 50386 1 577 . 1 . 1 121 121 GLU CB C 13 28.943 0.00 . 1 . . . . . 121 GLU CB . 50386 1 578 . 1 . 1 122 122 TYR H H 1 8.184 0.00 . 1 . . . . . 122 TYR H . 50386 1 579 . 1 . 1 122 122 TYR C C 13 178.296 0.04 . 1 . . . . . 122 TYR C . 50386 1 580 . 1 . 1 122 122 TYR CA C 13 60.439 0.01 . 1 . . . . . 122 TYR CA . 50386 1 581 . 1 . 1 122 122 TYR CB C 13 36.915 0.01 . 1 . . . . . 122 TYR CB . 50386 1 582 . 1 . 1 122 122 TYR N N 15 120.221 0.03 . 1 . . . . . 122 TYR N . 50386 1 583 . 1 . 1 123 123 LEU H H 1 8.019 0.00 . 1 . . . . . 123 LEU H . 50386 1 584 . 1 . 1 123 123 LEU C C 13 178.962 0.02 . 1 . . . . . 123 LEU C . 50386 1 585 . 1 . 1 123 123 LEU CA C 13 56.724 0.00 . 1 . . . . . 123 LEU CA . 50386 1 586 . 1 . 1 123 123 LEU CB C 13 40.835 0.01 . 1 . . . . . 123 LEU CB . 50386 1 587 . 1 . 1 123 123 LEU N N 15 120.764 0.01 . 1 . . . . . 123 LEU N . 50386 1 588 . 1 . 1 124 124 LYS H H 1 7.973 0.00 . 1 . . . . . 124 LYS H . 50386 1 589 . 1 . 1 124 124 LYS C C 13 179.315 0.01 . 1 . . . . . 124 LYS C . 50386 1 590 . 1 . 1 124 124 LYS CA C 13 59.733 0.00 . 1 . . . . . 124 LYS CA . 50386 1 591 . 1 . 1 124 124 LYS CB C 13 31.355 0.06 . 1 . . . . . 124 LYS CB . 50386 1 592 . 1 . 1 124 124 LYS N N 15 119.645 0.02 . 1 . . . . . 124 LYS N . 50386 1 593 . 1 . 1 125 125 GLU H H 1 7.524 0.00 . 1 . . . . . 125 GLU H . 50386 1 594 . 1 . 1 125 125 GLU C C 13 178.875 0.02 . 1 . . . . . 125 GLU C . 50386 1 595 . 1 . 1 125 125 GLU CA C 13 58.513 0.00 . 1 . . . . . 125 GLU CA . 50386 1 596 . 1 . 1 125 125 GLU CB C 13 28.201 0.02 . 1 . . . . . 125 GLU CB . 50386 1 597 . 1 . 1 125 125 GLU N N 15 118.914 0.02 . 1 . . . . . 125 GLU N . 50386 1 598 . 1 . 1 126 126 ARG H H 1 7.831 0.00 . 1 . . . . . 126 ARG H . 50386 1 599 . 1 . 1 126 126 ARG C C 13 177.853 0.03 . 1 . . . . . 126 ARG C . 50386 1 600 . 1 . 1 126 126 ARG CA C 13 57.829 0.05 . 1 . . . . . 126 ARG CA . 50386 1 601 . 1 . 1 126 126 ARG CB C 13 29.639 0.08 . 1 . . . . . 126 ARG CB . 50386 1 602 . 1 . 1 126 126 ARG N N 15 119.902 0.04 . 1 . . . . . 126 ARG N . 50386 1 603 . 1 . 1 127 127 ALA H H 1 7.940 0.00 . 1 . . . . . 127 ALA H . 50386 1 604 . 1 . 1 127 127 ALA C C 13 179.329 0.02 . 1 . . . . . 127 ALA C . 50386 1 605 . 1 . 1 127 127 ALA CA C 13 55.001 0.00 . 1 . . . . . 127 ALA CA . 50386 1 606 . 1 . 1 127 127 ALA CB C 13 18.357 0.04 . 1 . . . . . 127 ALA CB . 50386 1 607 . 1 . 1 127 127 ALA N N 15 122.754 0.01 . 1 . . . . . 127 ALA N . 50386 1 608 . 1 . 1 128 128 VAL H H 1 7.266 0.00 . 1 . . . . . 128 VAL H . 50386 1 609 . 1 . 1 128 128 VAL C C 13 179.000 0.01 . 1 . . . . . 128 VAL C . 50386 1 610 . 1 . 1 128 128 VAL CA C 13 65.827 0.00 . 1 . . . . . 128 VAL CA . 50386 1 611 . 1 . 1 128 128 VAL CB C 13 30.966 0.03 . 1 . . . . . 128 VAL CB . 50386 1 612 . 1 . 1 128 128 VAL N N 15 118.264 0.01 . 1 . . . . . 128 VAL N . 50386 1 613 . 1 . 1 129 129 ASP H H 1 7.440 0.00 . 1 . . . . . 129 ASP H . 50386 1 614 . 1 . 1 129 129 ASP C C 13 177.630 0.00 . 1 . . . . . 129 ASP C . 50386 1 615 . 1 . 1 129 129 ASP CA C 13 57.213 0.01 . 1 . . . . . 129 ASP CA . 50386 1 616 . 1 . 1 129 129 ASP CB C 13 39.980 0.00 . 1 . . . . . 129 ASP CB . 50386 1 617 . 1 . 1 129 129 ASP N N 15 121.318 0.01 . 1 . . . . . 129 ASP N . 50386 1 618 . 1 . 1 130 130 LEU H H 1 8.499 0.01 . 1 . . . . . 130 LEU H . 50386 1 619 . 1 . 1 130 130 LEU C C 13 178.764 0.00 . 1 . . . . . 130 LEU C . 50386 1 620 . 1 . 1 130 130 LEU CA C 13 57.547 0.11 . 1 . . . . . 130 LEU CA . 50386 1 621 . 1 . 1 130 130 LEU CB C 13 40.642 0.01 . 1 . . . . . 130 LEU CB . 50386 1 622 . 1 . 1 130 130 LEU N N 15 120.717 0.02 . 1 . . . . . 130 LEU N . 50386 1 623 . 1 . 1 131 131 ARG H H 1 7.919 0.00 . 1 . . . . . 131 ARG H . 50386 1 624 . 1 . 1 131 131 ARG C C 13 178.930 0.05 . 1 . . . . . 131 ARG C . 50386 1 625 . 1 . 1 131 131 ARG CA C 13 59.903 0.02 . 1 . . . . . 131 ARG CA . 50386 1 626 . 1 . 1 131 131 ARG CB C 13 28.687 0.08 . 1 . . . . . 131 ARG CB . 50386 1 627 . 1 . 1 131 131 ARG N N 15 118.078 0.03 . 1 . . . . . 131 ARG N . 50386 1 628 . 1 . 1 132 132 ASP H H 1 7.939 0.00 . 1 . . . . . 132 ASP H . 50386 1 629 . 1 . 1 132 132 ASP C C 13 179.113 0.09 . 1 . . . . . 132 ASP C . 50386 1 630 . 1 . 1 132 132 ASP CA C 13 57.461 0.01 . 1 . . . . . 132 ASP CA . 50386 1 631 . 1 . 1 132 132 ASP CB C 13 40.820 0.02 . 1 . . . . . 132 ASP CB . 50386 1 632 . 1 . 1 132 132 ASP N N 15 122.037 0.02 . 1 . . . . . 132 ASP N . 50386 1 633 . 1 . 1 133 133 VAL H H 1 8.386 0.00 . 1 . . . . . 133 VAL H . 50386 1 634 . 1 . 1 133 133 VAL C C 13 178.352 0.02 . 1 . . . . . 133 VAL C . 50386 1 635 . 1 . 1 133 133 VAL CA C 13 66.703 0.00 . 1 . . . . . 133 VAL CA . 50386 1 636 . 1 . 1 133 133 VAL CB C 13 31.198 0.02 . 1 . . . . . 133 VAL CB . 50386 1 637 . 1 . 1 133 133 VAL N N 15 121.727 0.03 . 1 . . . . . 133 VAL N . 50386 1 638 . 1 . 1 134 134 GLY H H 1 8.971 0.00 . 1 . . . . . 134 GLY H . 50386 1 639 . 1 . 1 134 134 GLY C C 13 174.880 0.02 . 1 . . . . . 134 GLY C . 50386 1 640 . 1 . 1 134 134 GLY CA C 13 47.783 0.03 . 1 . . . . . 134 GLY CA . 50386 1 641 . 1 . 1 134 134 GLY N N 15 107.206 0.01 . 1 . . . . . 134 GLY N . 50386 1 642 . 1 . 1 135 135 ASN H H 1 8.228 0.00 . 1 . . . . . 135 ASN H . 50386 1 643 . 1 . 1 135 135 ASN C C 13 177.132 0.03 . 1 . . . . . 135 ASN C . 50386 1 644 . 1 . 1 135 135 ASN CA C 13 56.458 0.00 . 1 . . . . . 135 ASN CA . 50386 1 645 . 1 . 1 135 135 ASN CB C 13 38.281 0.03 . 1 . . . . . 135 ASN CB . 50386 1 646 . 1 . 1 135 135 ASN N N 15 119.313 0.01 . 1 . . . . . 135 ASN N . 50386 1 647 . 1 . 1 136 136 ARG H H 1 7.853 0.00 . 1 . . . . . 136 ARG H . 50386 1 648 . 1 . 1 136 136 ARG C C 13 178.846 0.03 . 1 . . . . . 136 ARG C . 50386 1 649 . 1 . 1 136 136 ARG CA C 13 59.051 0.01 . 1 . . . . . 136 ARG CA . 50386 1 650 . 1 . 1 136 136 ARG CB C 13 29.520 0.06 . 1 . . . . . 136 ARG CB . 50386 1 651 . 1 . 1 136 136 ARG N N 15 121.139 0.01 . 1 . . . . . 136 ARG N . 50386 1 652 . 1 . 1 137 137 ILE H H 1 8.327 0.00 . 1 . . . . . 137 ILE H . 50386 1 653 . 1 . 1 137 137 ILE C C 13 178.724 0.02 . 1 . . . . . 137 ILE C . 50386 1 654 . 1 . 1 137 137 ILE CA C 13 65.639 0.01 . 1 . . . . . 137 ILE CA . 50386 1 655 . 1 . 1 137 137 ILE CB C 13 37.537 0.05 . 1 . . . . . 137 ILE CB . 50386 1 656 . 1 . 1 137 137 ILE N N 15 119.617 0.01 . 1 . . . . . 137 ILE N . 50386 1 657 . 1 . 1 138 138 ILE H H 1 8.281 0.00 . 1 . . . . . 138 ILE H . 50386 1 658 . 1 . 1 138 138 ILE C C 13 178.056 0.03 . 1 . . . . . 138 ILE C . 50386 1 659 . 1 . 1 138 138 ILE CA C 13 66.019 0.04 . 1 . . . . . 138 ILE CA . 50386 1 660 . 1 . 1 138 138 ILE CB C 13 36.950 0.04 . 1 . . . . . 138 ILE CB . 50386 1 661 . 1 . 1 138 138 ILE N N 15 120.007 0.01 . 1 . . . . . 138 ILE N . 50386 1 662 . 1 . 1 139 139 GLU H H 1 8.674 0.00 . 1 . . . . . 139 GLU H . 50386 1 663 . 1 . 1 139 139 GLU C C 13 179.543 0.02 . 1 . . . . . 139 GLU C . 50386 1 664 . 1 . 1 139 139 GLU CA C 13 60.502 0.00 . 1 . . . . . 139 GLU CA . 50386 1 665 . 1 . 1 139 139 GLU CB C 13 28.216 0.02 . 1 . . . . . 139 GLU CB . 50386 1 666 . 1 . 1 139 139 GLU N N 15 120.140 0.01 . 1 . . . . . 139 GLU N . 50386 1 667 . 1 . 1 140 140 ASN H H 1 7.923 0.00 . 1 . . . . . 140 ASN H . 50386 1 668 . 1 . 1 140 140 ASN C C 13 178.428 0.02 . 1 . . . . . 140 ASN C . 50386 1 669 . 1 . 1 140 140 ASN CA C 13 55.819 0.00 . 1 . . . . . 140 ASN CA . 50386 1 670 . 1 . 1 140 140 ASN CB C 13 37.808 0.05 . 1 . . . . . 140 ASN CB . 50386 1 671 . 1 . 1 140 140 ASN N N 15 116.577 0.01 . 1 . . . . . 140 ASN N . 50386 1 672 . 1 . 1 141 141 LEU H H 1 8.704 0.00 . 1 . . . . . 141 LEU H . 50386 1 673 . 1 . 1 141 141 LEU C C 13 178.751 0.02 . 1 . . . . . 141 LEU C . 50386 1 674 . 1 . 1 141 141 LEU CA C 13 57.560 0.01 . 1 . . . . . 141 LEU CA . 50386 1 675 . 1 . 1 141 141 LEU CB C 13 42.288 0.03 . 1 . . . . . 141 LEU CB . 50386 1 676 . 1 . 1 141 141 LEU N N 15 124.715 0.01 . 1 . . . . . 141 LEU N . 50386 1 677 . 1 . 1 142 142 LEU H H 1 8.178 0.00 . 1 . . . . . 142 LEU H . 50386 1 678 . 1 . 1 142 142 LEU C C 13 178.066 0.03 . 1 . . . . . 142 LEU C . 50386 1 679 . 1 . 1 142 142 LEU CA C 13 54.904 0.01 . 1 . . . . . 142 LEU CA . 50386 1 680 . 1 . 1 142 142 LEU CB C 13 41.984 0.04 . 1 . . . . . 142 LEU CB . 50386 1 681 . 1 . 1 142 142 LEU N N 15 117.368 0.01 . 1 . . . . . 142 LEU N . 50386 1 682 . 1 . 1 143 143 GLY H H 1 7.926 0.00 . 1 . . . . . 143 GLY H . 50386 1 683 . 1 . 1 143 143 GLY C C 13 174.750 0.03 . 1 . . . . . 143 GLY C . 50386 1 684 . 1 . 1 143 143 GLY CA C 13 46.212 0.06 . 1 . . . . . 143 GLY CA . 50386 1 685 . 1 . 1 143 143 GLY N N 15 109.593 0.02 . 1 . . . . . 143 GLY N . 50386 1 686 . 1 . 1 144 144 VAL H H 1 7.753 0.00 . 1 . . . . . 144 VAL H . 50386 1 687 . 1 . 1 144 144 VAL C C 13 174.896 0.09 . 1 . . . . . 144 VAL C . 50386 1 688 . 1 . 1 144 144 VAL CA C 13 61.014 0.00 . 1 . . . . . 144 VAL CA . 50386 1 689 . 1 . 1 144 144 VAL CB C 13 32.846 0.00 . 1 . . . . . 144 VAL CB . 50386 1 690 . 1 . 1 144 144 VAL N N 15 118.651 0.01 . 1 . . . . . 144 VAL N . 50386 1 691 . 1 . 1 145 145 LYS H H 1 8.255 0.07 . 1 . . . . . 145 LYS H . 50386 1 692 . 1 . 1 145 145 LYS C C 13 176.318 0.03 . 1 . . . . . 145 LYS C . 50386 1 693 . 1 . 1 145 145 LYS CA C 13 54.733 0.00 . 1 . . . . . 145 LYS CA . 50386 1 694 . 1 . 1 145 145 LYS CB C 13 37.870 5.43 . 1 . . . . . 145 LYS CB . 50386 1 695 . 1 . 1 145 145 LYS N N 15 130.463 14.40 . 1 . . . . . 145 LYS N . 50386 1 696 . 1 . 1 146 146 SER H H 1 8.528 0.00 . 1 . . . . . 146 SER H . 50386 1 697 . 1 . 1 146 146 SER C C 13 174.619 0.00 . 1 . . . . . 146 SER C . 50386 1 698 . 1 . 1 146 146 SER CA C 13 57.918 0.02 . 1 . . . . . 146 SER CA . 50386 1 699 . 1 . 1 146 146 SER CB C 13 63.487 0.02 . 1 . . . . . 146 SER CB . 50386 1 700 . 1 . 1 146 146 SER N N 15 120.708 0.02 . 1 . . . . . 146 SER N . 50386 1 701 . 1 . 1 147 147 VAL H H 1 8.315 0.00 . 1 . . . . . 147 VAL H . 50386 1 702 . 1 . 1 147 147 VAL C C 13 175.024 0.03 . 1 . . . . . 147 VAL C . 50386 1 703 . 1 . 1 147 147 VAL CA C 13 62.053 0.01 . 1 . . . . . 147 VAL CA . 50386 1 704 . 1 . 1 147 147 VAL CB C 13 32.403 0.02 . 1 . . . . . 147 VAL CB . 50386 1 705 . 1 . 1 147 147 VAL N N 15 122.598 0.05 . 1 . . . . . 147 VAL N . 50386 1 706 . 1 . 1 148 148 ASN H H 1 8.642 0.00 . 1 . . . . . 148 ASN H . 50386 1 707 . 1 . 1 148 148 ASN C C 13 175.734 0.02 . 1 . . . . . 148 ASN C . 50386 1 708 . 1 . 1 148 148 ASN CA C 13 52.166 0.01 . 1 . . . . . 148 ASN CA . 50386 1 709 . 1 . 1 148 148 ASN CB C 13 40.154 0.00 . 1 . . . . . 148 ASN CB . 50386 1 710 . 1 . 1 148 148 ASN N N 15 122.698 0.01 . 1 . . . . . 148 ASN N . 50386 1 711 . 1 . 1 149 149 LEU H H 1 8.666 0.00 . 1 . . . . . 149 LEU H . 50386 1 712 . 1 . 1 149 149 LEU C C 13 177.831 0.02 . 1 . . . . . 149 LEU C . 50386 1 713 . 1 . 1 149 149 LEU CA C 13 55.376 0.00 . 1 . . . . . 149 LEU CA . 50386 1 714 . 1 . 1 149 149 LEU CB C 13 40.215 0.19 . 1 . . . . . 149 LEU CB . 50386 1 715 . 1 . 1 149 149 LEU N N 15 119.665 0.02 . 1 . . . . . 149 LEU N . 50386 1 716 . 1 . 1 150 150 SER H H 1 8.392 0.00 . 1 . . . . . 150 SER H . 50386 1 717 . 1 . 1 150 150 SER C C 13 175.132 0.03 . 1 . . . . . 150 SER C . 50386 1 718 . 1 . 1 150 150 SER CA C 13 59.868 0.00 . 1 . . . . . 150 SER CA . 50386 1 719 . 1 . 1 150 150 SER CB C 13 63.285 0.12 . 1 . . . . . 150 SER CB . 50386 1 720 . 1 . 1 150 150 SER N N 15 115.661 0.01 . 1 . . . . . 150 SER N . 50386 1 721 . 1 . 1 151 151 ASP H H 1 7.737 0.01 . 1 . . . . . 151 ASP H . 50386 1 722 . 1 . 1 151 151 ASP C C 13 175.615 0.02 . 1 . . . . . 151 ASP C . 50386 1 723 . 1 . 1 151 151 ASP CA C 13 53.552 0.01 . 1 . . . . . 151 ASP CA . 50386 1 724 . 1 . 1 151 151 ASP CB C 13 40.721 0.00 . 1 . . . . . 151 ASP CB . 50386 1 725 . 1 . 1 151 151 ASP N N 15 120.881 0.01 . 1 . . . . . 151 ASP N . 50386 1 726 . 1 . 1 152 152 LEU H H 1 6.297 0.00 . 1 . . . . . 152 LEU H . 50386 1 727 . 1 . 1 152 152 LEU C C 13 177.161 0.03 . 1 . . . . . 152 LEU C . 50386 1 728 . 1 . 1 152 152 LEU CA C 13 55.413 0.00 . 1 . . . . . 152 LEU CA . 50386 1 729 . 1 . 1 152 152 LEU CB C 13 42.383 0.07 . 1 . . . . . 152 LEU CB . 50386 1 730 . 1 . 1 152 152 LEU N N 15 118.315 0.01 . 1 . . . . . 152 LEU N . 50386 1 731 . 1 . 1 153 153 GLU H H 1 8.680 0.00 . 1 . . . . . 153 GLU H . 50386 1 732 . 1 . 1 153 153 GLU C C 13 175.238 0.02 . 1 . . . . . 153 GLU C . 50386 1 733 . 1 . 1 153 153 GLU CA C 13 55.608 0.08 . 1 . . . . . 153 GLU CA . 50386 1 734 . 1 . 1 153 153 GLU CB C 13 31.061 0.14 . 1 . . . . . 153 GLU CB . 50386 1 735 . 1 . 1 153 153 GLU N N 15 120.405 0.02 . 1 . . . . . 153 GLU N . 50386 1 736 . 1 . 1 154 154 GLU H H 1 7.595 0.00 . 1 . . . . . 154 GLU H . 50386 1 737 . 1 . 1 154 154 GLU C C 13 173.464 0.03 . 1 . . . . . 154 GLU C . 50386 1 738 . 1 . 1 154 154 GLU CA C 13 53.936 0.00 . 1 . . . . . 154 GLU CA . 50386 1 739 . 1 . 1 154 154 GLU CB C 13 31.920 0.03 . 1 . . . . . 154 GLU CB . 50386 1 740 . 1 . 1 154 154 GLU N N 15 118.271 0.04 . 1 . . . . . 154 GLU N . 50386 1 741 . 1 . 1 155 155 GLU H H 1 8.307 0.00 . 1 . . . . . 155 GLU H . 50386 1 742 . 1 . 1 155 155 GLU C C 13 178.137 0.04 . 1 . . . . . 155 GLU C . 50386 1 743 . 1 . 1 155 155 GLU CA C 13 56.098 0.01 . 1 . . . . . 155 GLU CA . 50386 1 744 . 1 . 1 155 155 GLU CB C 13 28.921 0.01 . 1 . . . . . 155 GLU CB . 50386 1 745 . 1 . 1 155 155 GLU N N 15 119.398 0.01 . 1 . . . . . 155 GLU N . 50386 1 746 . 1 . 1 156 156 VAL H H 1 8.734 0.00 . 1 . . . . . 156 VAL H . 50386 1 747 . 1 . 1 156 156 VAL C C 13 175.452 0.02 . 1 . . . . . 156 VAL C . 50386 1 748 . 1 . 1 156 156 VAL CA C 13 58.926 0.01 . 1 . . . . . 156 VAL CA . 50386 1 749 . 1 . 1 156 156 VAL CB C 13 37.120 0.00 . 1 . . . . . 156 VAL CB . 50386 1 750 . 1 . 1 156 156 VAL N N 15 115.940 0.01 . 1 . . . . . 156 VAL N . 50386 1 751 . 1 . 1 157 157 VAL H H 1 8.688 0.00 . 1 . . . . . 157 VAL H . 50386 1 752 . 1 . 1 157 157 VAL C C 13 175.310 0.02 . 1 . . . . . 157 VAL C . 50386 1 753 . 1 . 1 157 157 VAL CA C 13 61.320 0.00 . 1 . . . . . 157 VAL CA . 50386 1 754 . 1 . 1 157 157 VAL CB C 13 32.081 0.02 . 1 . . . . . 157 VAL CB . 50386 1 755 . 1 . 1 157 157 VAL N N 15 121.358 0.02 . 1 . . . . . 157 VAL N . 50386 1 756 . 1 . 1 158 158 VAL H H 1 8.184 0.00 . 1 . . . . . 158 VAL H . 50386 1 757 . 1 . 1 158 158 VAL C C 13 173.326 0.04 . 1 . . . . . 158 VAL C . 50386 1 758 . 1 . 1 158 158 VAL CA C 13 63.441 0.01 . 1 . . . . . 158 VAL CA . 50386 1 759 . 1 . 1 158 158 VAL CB C 13 31.927 0.04 . 1 . . . . . 158 VAL CB . 50386 1 760 . 1 . 1 158 158 VAL N N 15 128.364 0.02 . 1 . . . . . 158 VAL N . 50386 1 761 . 1 . 1 159 159 ILE H H 1 9.022 0.00 . 1 . . . . . 159 ILE H . 50386 1 762 . 1 . 1 159 159 ILE C C 13 174.759 0.03 . 1 . . . . . 159 ILE C . 50386 1 763 . 1 . 1 159 159 ILE CA C 13 57.425 0.01 . 1 . . . . . 159 ILE CA . 50386 1 764 . 1 . 1 159 159 ILE CB C 13 36.578 0.04 . 1 . . . . . 159 ILE CB . 50386 1 765 . 1 . 1 159 159 ILE N N 15 129.815 0.02 . 1 . . . . . 159 ILE N . 50386 1 766 . 1 . 1 160 160 ALA H H 1 8.302 0.00 . 1 . . . . . 160 ALA H . 50386 1 767 . 1 . 1 160 160 ALA C C 13 175.786 0.01 . 1 . . . . . 160 ALA C . 50386 1 768 . 1 . 1 160 160 ALA CA C 13 49.907 0.02 . 1 . . . . . 160 ALA CA . 50386 1 769 . 1 . 1 160 160 ALA CB C 13 24.184 0.01 . 1 . . . . . 160 ALA CB . 50386 1 770 . 1 . 1 160 160 ALA N N 15 126.489 0.01 . 1 . . . . . 160 ALA N . 50386 1 771 . 1 . 1 161 161 ARG H H 1 9.270 0.00 . 1 . . . . . 161 ARG H . 50386 1 772 . 1 . 1 161 161 ARG C C 13 175.488 0.01 . 1 . . . . . 161 ARG C . 50386 1 773 . 1 . 1 161 161 ARG CA C 13 59.478 0.01 . 1 . . . . . 161 ARG CA . 50386 1 774 . 1 . 1 161 161 ARG CB C 13 28.965 0.00 . 1 . . . . . 161 ARG CB . 50386 1 775 . 1 . 1 161 161 ARG N N 15 123.152 0.02 . 1 . . . . . 161 ARG N . 50386 1 776 . 1 . 1 162 162 ASP H H 1 7.348 0.00 . 1 . . . . . 162 ASP H . 50386 1 777 . 1 . 1 162 162 ASP C C 13 174.168 0.02 . 1 . . . . . 162 ASP C . 50386 1 778 . 1 . 1 162 162 ASP CA C 13 52.117 0.00 . 1 . . . . . 162 ASP CA . 50386 1 779 . 1 . 1 162 162 ASP CB C 13 43.115 0.01 . 1 . . . . . 162 ASP CB . 50386 1 780 . 1 . 1 162 162 ASP N N 15 110.564 0.01 . 1 . . . . . 162 ASP N . 50386 1 781 . 1 . 1 163 163 LEU H H 1 7.954 0.00 . 1 . . . . . 163 LEU H . 50386 1 782 . 1 . 1 163 163 LEU C C 13 175.934 0.03 . 1 . . . . . 163 LEU C . 50386 1 783 . 1 . 1 163 163 LEU CA C 13 53.521 0.01 . 1 . . . . . 163 LEU CA . 50386 1 784 . 1 . 1 163 163 LEU CB C 13 43.715 0.11 . 1 . . . . . 163 LEU CB . 50386 1 785 . 1 . 1 163 163 LEU N N 15 120.950 0.01 . 1 . . . . . 163 LEU N . 50386 1 786 . 1 . 1 164 164 THR H H 1 9.384 0.00 . 1 . . . . . 164 THR H . 50386 1 787 . 1 . 1 164 164 THR C C 13 174.587 0.00 . 1 . . . . . 164 THR C . 50386 1 788 . 1 . 1 164 164 THR CA C 13 59.286 0.00 . 1 . . . . . 164 THR CA . 50386 1 789 . 1 . 1 164 164 THR CB C 13 68.660 0.00 . 1 . . . . . 164 THR CB . 50386 1 790 . 1 . 1 164 164 THR N N 15 116.211 0.02 . 1 . . . . . 164 THR N . 50386 1 791 . 1 . 1 166 166 SER C C 13 176.608 0.00 . 1 . . . . . 166 SER C . 50386 1 792 . 1 . 1 166 166 SER CA C 13 61.368 0.00 . 1 . . . . . 166 SER CA . 50386 1 793 . 1 . 1 166 166 SER CB C 13 62.609 0.00 . 1 . . . . . 166 SER CB . 50386 1 794 . 1 . 1 167 167 ASP H H 1 7.849 0.00 . 1 . . . . . 167 ASP H . 50386 1 795 . 1 . 1 167 167 ASP C C 13 178.276 0.02 . 1 . . . . . 167 ASP C . 50386 1 796 . 1 . 1 167 167 ASP CA C 13 57.177 0.01 . 1 . . . . . 167 ASP CA . 50386 1 797 . 1 . 1 167 167 ASP CB C 13 41.970 0.03 . 1 . . . . . 167 ASP CB . 50386 1 798 . 1 . 1 167 167 ASP N N 15 122.062 0.02 . 1 . . . . . 167 ASP N . 50386 1 799 . 1 . 1 168 168 THR H H 1 7.760 0.00 . 1 . . . . . 168 THR H . 50386 1 800 . 1 . 1 168 168 THR C C 13 176.286 0.03 . 1 . . . . . 168 THR C . 50386 1 801 . 1 . 1 168 168 THR CA C 13 63.306 0.00 . 1 . . . . . 168 THR CA . 50386 1 802 . 1 . 1 168 168 THR CB C 13 68.195 0.02 . 1 . . . . . 168 THR CB . 50386 1 803 . 1 . 1 168 168 THR N N 15 108.385 0.02 . 1 . . . . . 168 THR N . 50386 1 804 . 1 . 1 169 169 ALA H H 1 7.709 0.00 . 1 . . . . . 169 ALA H . 50386 1 805 . 1 . 1 169 169 ALA C C 13 178.389 0.01 . 1 . . . . . 169 ALA C . 50386 1 806 . 1 . 1 169 169 ALA CA C 13 54.418 0.00 . 1 . . . . . 169 ALA CA . 50386 1 807 . 1 . 1 169 169 ALA CB C 13 18.707 0.05 . 1 . . . . . 169 ALA CB . 50386 1 808 . 1 . 1 169 169 ALA N N 15 123.544 0.02 . 1 . . . . . 169 ALA N . 50386 1 809 . 1 . 1 170 170 THR H H 1 7.397 0.00 . 1 . . . . . 170 THR H . 50386 1 810 . 1 . 1 170 170 THR C C 13 174.725 0.01 . 1 . . . . . 170 THR C . 50386 1 811 . 1 . 1 170 170 THR CA C 13 60.229 0.01 . 1 . . . . . 170 THR CA . 50386 1 812 . 1 . 1 170 170 THR CB C 13 68.987 0.05 . 1 . . . . . 170 THR CB . 50386 1 813 . 1 . 1 170 170 THR N N 15 103.829 0.01 . 1 . . . . . 170 THR N . 50386 1 814 . 1 . 1 171 171 MET H H 1 7.129 0.00 . 1 . . . . . 171 MET H . 50386 1 815 . 1 . 1 171 171 MET C C 13 174.687 0.00 . 1 . . . . . 171 MET C . 50386 1 816 . 1 . 1 171 171 MET CA C 13 55.319 0.00 . 1 . . . . . 171 MET CA . 50386 1 817 . 1 . 1 171 171 MET CB C 13 33.636 0.02 . 1 . . . . . 171 MET CB . 50386 1 818 . 1 . 1 171 171 MET N N 15 120.565 0.01 . 1 . . . . . 171 MET N . 50386 1 819 . 1 . 1 172 172 LYS H H 1 7.622 0.00 . 1 . . . . . 172 LYS H . 50386 1 820 . 1 . 1 172 172 LYS C C 13 175.951 0.01 . 1 . . . . . 172 LYS C . 50386 1 821 . 1 . 1 172 172 LYS CA C 13 55.009 0.10 . 1 . . . . . 172 LYS CA . 50386 1 822 . 1 . 1 172 172 LYS CB C 13 29.965 0.01 . 1 . . . . . 172 LYS CB . 50386 1 823 . 1 . 1 172 172 LYS N N 15 125.409 0.01 . 1 . . . . . 172 LYS N . 50386 1 824 . 1 . 1 173 173 LYS H H 1 8.022 0.00 . 1 . . . . . 173 LYS H . 50386 1 825 . 1 . 1 173 173 LYS C C 13 177.353 0.02 . 1 . . . . . 173 LYS C . 50386 1 826 . 1 . 1 173 173 LYS CA C 13 59.827 0.01 . 1 . . . . . 173 LYS CA . 50386 1 827 . 1 . 1 173 173 LYS CB C 13 31.578 0.03 . 1 . . . . . 173 LYS CB . 50386 1 828 . 1 . 1 173 173 LYS N N 15 127.855 0.02 . 1 . . . . . 173 LYS N . 50386 1 829 . 1 . 1 174 174 GLU H H 1 9.770 0.00 . 1 . . . . . 174 GLU H . 50386 1 830 . 1 . 1 174 174 GLU C C 13 177.048 0.01 . 1 . . . . . 174 GLU C . 50386 1 831 . 1 . 1 174 174 GLU CA C 13 58.444 0.01 . 1 . . . . . 174 GLU CA . 50386 1 832 . 1 . 1 174 174 GLU CB C 13 27.778 0.01 . 1 . . . . . 174 GLU CB . 50386 1 833 . 1 . 1 174 174 GLU N N 15 118.569 0.00 . 1 . . . . . 174 GLU N . 50386 1 834 . 1 . 1 175 175 MET H H 1 7.585 0.00 . 1 . . . . . 175 MET H . 50386 1 835 . 1 . 1 175 175 MET C C 13 174.127 0.04 . 1 . . . . . 175 MET C . 50386 1 836 . 1 . 1 175 175 MET CA C 13 53.364 0.00 . 1 . . . . . 175 MET CA . 50386 1 837 . 1 . 1 175 175 MET CB C 13 32.584 0.04 . 1 . . . . . 175 MET CB . 50386 1 838 . 1 . 1 175 175 MET N N 15 115.320 0.02 . 1 . . . . . 175 MET N . 50386 1 839 . 1 . 1 176 176 VAL H H 1 7.137 0.00 . 1 . . . . . 176 VAL H . 50386 1 840 . 1 . 1 176 176 VAL C C 13 175.467 0.02 . 1 . . . . . 176 VAL C . 50386 1 841 . 1 . 1 176 176 VAL CA C 13 62.187 0.01 . 1 . . . . . 176 VAL CA . 50386 1 842 . 1 . 1 176 176 VAL CB C 13 31.366 0.04 . 1 . . . . . 176 VAL CB . 50386 1 843 . 1 . 1 176 176 VAL N N 15 118.786 0.02 . 1 . . . . . 176 VAL N . 50386 1 844 . 1 . 1 177 177 LEU H H 1 8.971 0.00 . 1 . . . . . 177 LEU H . 50386 1 845 . 1 . 1 177 177 LEU C C 13 177.230 0.00 . 1 . . . . . 177 LEU C . 50386 1 846 . 1 . 1 177 177 LEU CA C 13 54.781 0.03 . 1 . . . . . 177 LEU CA . 50386 1 847 . 1 . 1 177 177 LEU CB C 13 43.026 0.10 . 1 . . . . . 177 LEU CB . 50386 1 848 . 1 . 1 177 177 LEU N N 15 124.919 0.05 . 1 . . . . . 177 LEU N . 50386 1 849 . 1 . 1 178 178 GLY H H 1 7.009 0.00 . 1 . . . . . 178 GLY H . 50386 1 850 . 1 . 1 178 178 GLY C C 13 182.053 0.00 . 1 . . . . . 178 GLY C . 50386 1 851 . 1 . 1 178 178 GLY CA C 13 44.400 0.08 . 1 . . . . . 178 GLY CA . 50386 1 852 . 1 . 1 178 178 GLY N N 15 99.909 0.02 . 1 . . . . . 178 GLY N . 50386 1 853 . 1 . 1 179 179 PHE H H 1 8.145 0.00 . 1 . . . . . 179 PHE H . 50386 1 854 . 1 . 1 179 179 PHE C C 13 174.048 0.03 . 1 . . . . . 179 PHE C . 50386 1 855 . 1 . 1 179 179 PHE CA C 13 55.241 0.02 . 1 . . . . . 179 PHE CA . 50386 1 856 . 1 . 1 179 179 PHE CB C 13 43.269 0.01 . 1 . . . . . 179 PHE CB . 50386 1 857 . 1 . 1 179 179 PHE N N 15 115.519 0.02 . 1 . . . . . 179 PHE N . 50386 1 858 . 1 . 1 180 180 ALA H H 1 8.753 0.00 . 1 . . . . . 180 ALA H . 50386 1 859 . 1 . 1 180 180 ALA C C 13 176.352 0.02 . 1 . . . . . 180 ALA C . 50386 1 860 . 1 . 1 180 180 ALA CA C 13 50.355 0.01 . 1 . . . . . 180 ALA CA . 50386 1 861 . 1 . 1 180 180 ALA CB C 13 20.672 0.06 . 1 . . . . . 180 ALA CB . 50386 1 862 . 1 . 1 180 180 ALA N N 15 123.084 0.01 . 1 . . . . . 180 ALA N . 50386 1 863 . 1 . 1 181 181 THR H H 1 8.286 0.00 . 1 . . . . . 181 THR H . 50386 1 864 . 1 . 1 181 181 THR C C 13 175.087 0.02 . 1 . . . . . 181 THR C . 50386 1 865 . 1 . 1 181 181 THR CA C 13 58.014 0.00 . 1 . . . . . 181 THR CA . 50386 1 866 . 1 . 1 181 181 THR CB C 13 71.302 0.00 . 1 . . . . . 181 THR CB . 50386 1 867 . 1 . 1 181 181 THR N N 15 109.367 0.02 . 1 . . . . . 181 THR N . 50386 1 868 . 1 . 1 182 182 ASP H H 1 7.828 0.00 . 1 . . . . . 182 ASP H . 50386 1 869 . 1 . 1 182 182 ASP C C 13 178.982 0.03 . 1 . . . . . 182 ASP C . 50386 1 870 . 1 . 1 182 182 ASP CA C 13 56.442 0.10 . 1 . . . . . 182 ASP CA . 50386 1 871 . 1 . 1 182 182 ASP CB C 13 41.415 0.01 . 1 . . . . . 182 ASP CB . 50386 1 872 . 1 . 1 182 182 ASP N N 15 120.230 0.01 . 1 . . . . . 182 ASP N . 50386 1 873 . 1 . 1 183 183 VAL H H 1 8.030 0.00 . 1 . . . . . 183 VAL H . 50386 1 874 . 1 . 1 183 183 VAL C C 13 176.838 0.04 . 1 . . . . . 183 VAL C . 50386 1 875 . 1 . 1 183 183 VAL CA C 13 59.752 0.02 . 1 . . . . . 183 VAL CA . 50386 1 876 . 1 . 1 183 183 VAL CB C 13 32.632 0.00 . 1 . . . . . 183 VAL CB . 50386 1 877 . 1 . 1 183 183 VAL N N 15 113.277 0.01 . 1 . . . . . 183 VAL N . 50386 1 878 . 1 . 1 184 184 GLY H H 1 8.447 0.00 . 1 . . . . . 184 GLY H . 50386 1 879 . 1 . 1 184 184 GLY C C 13 172.839 0.02 . 1 . . . . . 184 GLY C . 50386 1 880 . 1 . 1 184 184 GLY CA C 13 44.249 0.00 . 1 . . . . . 184 GLY CA . 50386 1 881 . 1 . 1 184 184 GLY N N 15 112.079 0.02 . 1 . . . . . 184 GLY N . 50386 1 882 . 1 . 1 185 185 GLY H H 1 7.798 0.00 . 1 . . . . . 185 GLY H . 50386 1 883 . 1 . 1 185 185 GLY C C 13 174.734 0.00 . 1 . . . . . 185 GLY C . 50386 1 884 . 1 . 1 185 185 GLY CA C 13 44.016 0.00 . 1 . . . . . 185 GLY CA . 50386 1 885 . 1 . 1 185 185 GLY N N 15 105.082 0.01 . 1 . . . . . 185 GLY N . 50386 1 886 . 1 . 1 187 187 THR C C 13 173.736 0.00 . 1 . . . . . 187 THR C . 50386 1 887 . 1 . 1 187 187 THR CA C 13 60.074 0.00 . 1 . . . . . 187 THR CA . 50386 1 888 . 1 . 1 187 187 THR CB C 13 67.948 0.00 . 1 . . . . . 187 THR CB . 50386 1 889 . 1 . 1 188 188 SER H H 1 7.311 0.00 . 1 . . . . . 188 SER H . 50386 1 890 . 1 . 1 188 188 SER C C 13 174.358 0.00 . 1 . . . . . 188 SER C . 50386 1 891 . 1 . 1 188 188 SER CA C 13 57.794 0.00 . 1 . . . . . 188 SER CA . 50386 1 892 . 1 . 1 188 188 SER CB C 13 64.251 0.00 . 1 . . . . . 188 SER CB . 50386 1 893 . 1 . 1 188 188 SER N N 15 117.585 0.00 . 1 . . . . . 188 SER N . 50386 1 894 . 1 . 1 189 189 NEP C C 13 178.498 0.00 . 1 . . . . . 189 HIS C . 50386 1 895 . 1 . 1 189 189 NEP CA C 13 60.021 0.00 . 1 . . . . . 189 HIS CA . 50386 1 896 . 1 . 1 189 189 NEP CB C 13 28.969 0.00 . 1 . . . . . 189 HIS CB . 50386 1 897 . 1 . 1 190 190 THR H H 1 8.475 0.00 . 1 . . . . . 190 THR H . 50386 1 898 . 1 . 1 190 190 THR C C 13 174.895 0.08 . 1 . . . . . 190 THR C . 50386 1 899 . 1 . 1 190 190 THR CA C 13 66.720 0.00 . 1 . . . . . 190 THR CA . 50386 1 900 . 1 . 1 190 190 THR CB C 13 68.221 0.09 . 1 . . . . . 190 THR CB . 50386 1 901 . 1 . 1 190 190 THR N N 15 116.427 0.01 . 1 . . . . . 190 THR N . 50386 1 902 . 1 . 1 191 191 ALA H H 1 7.505 0.00 . 1 . . . . . 191 ALA H . 50386 1 903 . 1 . 1 191 191 ALA C C 13 178.594 0.02 . 1 . . . . . 191 ALA C . 50386 1 904 . 1 . 1 191 191 ALA CA C 13 55.174 0.00 . 1 . . . . . 191 ALA CA . 50386 1 905 . 1 . 1 191 191 ALA CB C 13 18.871 0.04 . 1 . . . . . 191 ALA CB . 50386 1 906 . 1 . 1 191 191 ALA N N 15 124.205 0.01 . 1 . . . . . 191 ALA N . 50386 1 907 . 1 . 1 192 192 ILE H H 1 8.068 0.00 . 1 . . . . . 192 ILE H . 50386 1 908 . 1 . 1 192 192 ILE C C 13 179.773 0.03 . 1 . . . . . 192 ILE C . 50386 1 909 . 1 . 1 192 192 ILE CA C 13 64.606 0.01 . 1 . . . . . 192 ILE CA . 50386 1 910 . 1 . 1 192 192 ILE CB C 13 37.557 0.03 . 1 . . . . . 192 ILE CB . 50386 1 911 . 1 . 1 192 192 ILE N N 15 117.941 0.01 . 1 . . . . . 192 ILE N . 50386 1 912 . 1 . 1 193 193 MET H H 1 8.235 0.00 . 1 . . . . . 193 MET H . 50386 1 913 . 1 . 1 193 193 MET C C 13 178.532 0.02 . 1 . . . . . 193 MET C . 50386 1 914 . 1 . 1 193 193 MET CA C 13 58.009 0.01 . 1 . . . . . 193 MET CA . 50386 1 915 . 1 . 1 193 193 MET CB C 13 31.037 0.06 . 1 . . . . . 193 MET CB . 50386 1 916 . 1 . 1 193 193 MET N N 15 120.807 0.01 . 1 . . . . . 193 MET N . 50386 1 917 . 1 . 1 194 194 ALA H H 1 8.540 0.00 . 1 . . . . . 194 ALA H . 50386 1 918 . 1 . 1 194 194 ALA C C 13 179.557 0.02 . 1 . . . . . 194 ALA C . 50386 1 919 . 1 . 1 194 194 ALA CA C 13 55.645 0.00 . 1 . . . . . 194 ALA CA . 50386 1 920 . 1 . 1 194 194 ALA CB C 13 17.497 0.02 . 1 . . . . . 194 ALA CB . 50386 1 921 . 1 . 1 194 194 ALA N N 15 122.783 0.01 . 1 . . . . . 194 ALA N . 50386 1 922 . 1 . 1 195 195 ARG H H 1 8.272 0.00 . 1 . . . . . 195 ARG H . 50386 1 923 . 1 . 1 195 195 ARG C C 13 180.954 0.00 . 1 . . . . . 195 ARG C . 50386 1 924 . 1 . 1 195 195 ARG CA C 13 59.665 0.00 . 1 . . . . . 195 ARG CA . 50386 1 925 . 1 . 1 195 195 ARG CB C 13 29.809 0.04 . 1 . . . . . 195 ARG CB . 50386 1 926 . 1 . 1 195 195 ARG N N 15 117.082 0.02 . 1 . . . . . 195 ARG N . 50386 1 927 . 1 . 1 196 196 SER H H 1 7.960 0.00 . 1 . . . . . 196 SER H . 50386 1 928 . 1 . 1 196 196 SER C C 13 175.772 0.01 . 1 . . . . . 196 SER C . 50386 1 929 . 1 . 1 196 196 SER CA C 13 61.252 0.01 . 1 . . . . . 196 SER CA . 50386 1 930 . 1 . 1 196 196 SER CB C 13 62.727 0.07 . 1 . . . . . 196 SER CB . 50386 1 931 . 1 . 1 196 196 SER N N 15 116.845 0.04 . 1 . . . . . 196 SER N . 50386 1 932 . 1 . 1 197 197 LEU H H 1 7.762 0.00 . 1 . . . . . 197 LEU H . 50386 1 933 . 1 . 1 197 197 LEU C C 13 175.536 0.00 . 1 . . . . . 197 LEU C . 50386 1 934 . 1 . 1 197 197 LEU CA C 13 54.701 0.00 . 1 . . . . . 197 LEU CA . 50386 1 935 . 1 . 1 197 197 LEU CB C 13 42.281 0.04 . 1 . . . . . 197 LEU CB . 50386 1 936 . 1 . 1 197 197 LEU N N 15 120.870 0.01 . 1 . . . . . 197 LEU N . 50386 1 937 . 1 . 1 198 198 GLU H H 1 7.823 0.00 . 1 . . . . . 198 GLU H . 50386 1 938 . 1 . 1 198 198 GLU C C 13 175.786 0.03 . 1 . . . . . 198 GLU C . 50386 1 939 . 1 . 1 198 198 GLU CA C 13 57.002 0.00 . 1 . . . . . 198 GLU CA . 50386 1 940 . 1 . 1 198 198 GLU CB C 13 26.059 0.01 . 1 . . . . . 198 GLU CB . 50386 1 941 . 1 . 1 198 198 GLU N N 15 116.618 0.03 . 1 . . . . . 198 GLU N . 50386 1 942 . 1 . 1 199 199 ILE H H 1 7.941 0.00 . 1 . . . . . 199 ILE H . 50386 1 943 . 1 . 1 199 199 ILE C C 13 173.822 0.00 . 1 . . . . . 199 ILE C . 50386 1 944 . 1 . 1 199 199 ILE CA C 13 57.655 0.00 . 1 . . . . . 199 ILE CA . 50386 1 945 . 1 . 1 199 199 ILE CB C 13 39.324 0.00 . 1 . . . . . 199 ILE CB . 50386 1 946 . 1 . 1 199 199 ILE N N 15 116.974 0.01 . 1 . . . . . 199 ILE N . 50386 1 947 . 1 . 1 200 200 PRO C C 13 175.987 0.00 . 1 . . . . . 200 PRO C . 50386 1 948 . 1 . 1 200 200 PRO CA C 13 61.813 0.00 . 1 . . . . . 200 PRO CA . 50386 1 949 . 1 . 1 200 200 PRO CB C 13 32.254 0.00 . 1 . . . . . 200 PRO CB . 50386 1 950 . 1 . 1 201 201 ALA H H 1 8.253 0.00 . 1 . . . . . 201 ALA H . 50386 1 951 . 1 . 1 201 201 ALA C C 13 175.849 0.00 . 1 . . . . . 201 ALA C . 50386 1 952 . 1 . 1 201 201 ALA CA C 13 50.757 0.01 . 1 . . . . . 201 ALA CA . 50386 1 953 . 1 . 1 201 201 ALA CB C 13 21.239 0.01 . 1 . . . . . 201 ALA CB . 50386 1 954 . 1 . 1 201 201 ALA N N 15 118.695 0.02 . 1 . . . . . 201 ALA N . 50386 1 955 . 1 . 1 202 202 VAL H H 1 7.956 0.00 . 1 . . . . . 202 VAL H . 50386 1 956 . 1 . 1 202 202 VAL C C 13 173.829 0.04 . 1 . . . . . 202 VAL C . 50386 1 957 . 1 . 1 202 202 VAL CA C 13 61.120 0.00 . 1 . . . . . 202 VAL CA . 50386 1 958 . 1 . 1 202 202 VAL CB C 13 33.598 0.01 . 1 . . . . . 202 VAL CB . 50386 1 959 . 1 . 1 202 202 VAL N N 15 123.679 0.01 . 1 . . . . . 202 VAL N . 50386 1 960 . 1 . 1 203 203 VAL H H 1 8.307 0.00 . 1 . . . . . 203 VAL H . 50386 1 961 . 1 . 1 203 203 VAL C C 13 176.409 0.03 . 1 . . . . . 203 VAL C . 50386 1 962 . 1 . 1 203 203 VAL CA C 13 57.356 0.03 . 1 . . . . . 203 VAL CA . 50386 1 963 . 1 . 1 203 203 VAL CB C 13 33.421 0.00 . 1 . . . . . 203 VAL CB . 50386 1 964 . 1 . 1 203 203 VAL N N 15 116.587 0.02 . 1 . . . . . 203 VAL N . 50386 1 965 . 1 . 1 204 204 GLY H H 1 6.863 0.00 . 1 . . . . . 204 GLY H . 50386 1 966 . 1 . 1 204 204 GLY C C 13 176.214 0.01 . 1 . . . . . 204 GLY C . 50386 1 967 . 1 . 1 204 204 GLY CA C 13 47.778 0.02 . 1 . . . . . 204 GLY CA . 50386 1 968 . 1 . 1 204 204 GLY N N 15 106.149 0.01 . 1 . . . . . 204 GLY N . 50386 1 969 . 1 . 1 205 205 LEU H H 1 8.141 0.00 . 1 . . . . . 205 LEU H . 50386 1 970 . 1 . 1 205 205 LEU C C 13 178.296 0.03 . 1 . . . . . 205 LEU C . 50386 1 971 . 1 . 1 205 205 LEU CA C 13 56.645 0.01 . 1 . . . . . 205 LEU CA . 50386 1 972 . 1 . 1 205 205 LEU CB C 13 42.306 0.05 . 1 . . . . . 205 LEU CB . 50386 1 973 . 1 . 1 205 205 LEU N N 15 117.862 0.01 . 1 . . . . . 205 LEU N . 50386 1 974 . 1 . 1 206 206 GLY H H 1 10.189 0.00 . 1 . . . . . 206 GLY H . 50386 1 975 . 1 . 1 206 206 GLY C C 13 175.702 0.03 . 1 . . . . . 206 GLY C . 50386 1 976 . 1 . 1 206 206 GLY CA C 13 46.946 0.03 . 1 . . . . . 206 GLY CA . 50386 1 977 . 1 . 1 206 206 GLY N N 15 113.499 0.02 . 1 . . . . . 206 GLY N . 50386 1 978 . 1 . 1 207 207 ASN H H 1 8.085 0.00 . 1 . . . . . 207 ASN H . 50386 1 979 . 1 . 1 207 207 ASN C C 13 178.209 0.02 . 1 . . . . . 207 ASN C . 50386 1 980 . 1 . 1 207 207 ASN CA C 13 52.158 0.00 . 1 . . . . . 207 ASN CA . 50386 1 981 . 1 . 1 207 207 ASN CB C 13 37.451 0.00 . 1 . . . . . 207 ASN CB . 50386 1 982 . 1 . 1 207 207 ASN N N 15 121.168 0.01 . 1 . . . . . 207 ASN N . 50386 1 983 . 1 . 1 208 208 VAL H H 1 7.739 0.00 . 1 . . . . . 208 VAL H . 50386 1 984 . 1 . 1 208 208 VAL C C 13 176.904 0.02 . 1 . . . . . 208 VAL C . 50386 1 985 . 1 . 1 208 208 VAL CA C 13 65.195 0.00 . 1 . . . . . 208 VAL CA . 50386 1 986 . 1 . 1 208 208 VAL CB C 13 31.050 0.03 . 1 . . . . . 208 VAL CB . 50386 1 987 . 1 . 1 208 208 VAL N N 15 124.158 0.00 . 1 . . . . . 208 VAL N . 50386 1 988 . 1 . 1 209 209 THR H H 1 9.268 0.00 . 1 . . . . . 209 THR H . 50386 1 989 . 1 . 1 209 209 THR C C 13 175.844 0.03 . 1 . . . . . 209 THR C . 50386 1 990 . 1 . 1 209 209 THR CA C 13 64.197 0.01 . 1 . . . . . 209 THR CA . 50386 1 991 . 1 . 1 209 209 THR CB C 13 68.903 0.03 . 1 . . . . . 209 THR CB . 50386 1 992 . 1 . 1 209 209 THR N N 15 112.906 0.02 . 1 . . . . . 209 THR N . 50386 1 993 . 1 . 1 210 210 SER H H 1 7.253 0.00 . 1 . . . . . 210 SER H . 50386 1 994 . 1 . 1 210 210 SER C C 13 174.788 0.03 . 1 . . . . . 210 SER C . 50386 1 995 . 1 . 1 210 210 SER CA C 13 58.745 0.00 . 1 . . . . . 210 SER CA . 50386 1 996 . 1 . 1 210 210 SER CB C 13 63.513 0.01 . 1 . . . . . 210 SER CB . 50386 1 997 . 1 . 1 210 210 SER N N 15 113.707 0.01 . 1 . . . . . 210 SER N . 50386 1 998 . 1 . 1 211 211 GLN H H 1 7.491 0.00 . 1 . . . . . 211 GLN H . 50386 1 999 . 1 . 1 211 211 GLN C C 13 174.257 0.02 . 1 . . . . . 211 GLN C . 50386 1 1000 . 1 . 1 211 211 GLN CA C 13 55.906 0.00 . 1 . . . . . 211 GLN CA . 50386 1 1001 . 1 . 1 211 211 GLN CB C 13 29.973 0.03 . 1 . . . . . 211 GLN CB . 50386 1 1002 . 1 . 1 211 211 GLN N N 15 119.149 0.01 . 1 . . . . . 211 GLN N . 50386 1 1003 . 1 . 1 212 212 VAL H H 1 7.110 0.00 . 1 . . . . . 212 VAL H . 50386 1 1004 . 1 . 1 212 212 VAL C C 13 173.006 0.03 . 1 . . . . . 212 VAL C . 50386 1 1005 . 1 . 1 212 212 VAL CA C 13 60.596 0.00 . 1 . . . . . 212 VAL CA . 50386 1 1006 . 1 . 1 212 212 VAL CB C 13 33.620 0.00 . 1 . . . . . 212 VAL CB . 50386 1 1007 . 1 . 1 212 212 VAL N N 15 118.529 0.02 . 1 . . . . . 212 VAL N . 50386 1 1008 . 1 . 1 213 213 LYS H H 1 8.750 0.00 . 1 . . . . . 213 LYS H . 50386 1 1009 . 1 . 1 213 213 LYS C C 13 175.906 0.03 . 1 . . . . . 213 LYS C . 50386 1 1010 . 1 . 1 213 213 LYS CA C 13 53.262 0.00 . 1 . . . . . 213 LYS CA . 50386 1 1011 . 1 . 1 213 213 LYS CB C 13 33.566 0.00 . 1 . . . . . 213 LYS CB . 50386 1 1012 . 1 . 1 213 213 LYS N N 15 125.603 0.02 . 1 . . . . . 213 LYS N . 50386 1 1013 . 1 . 1 214 214 ALA H H 1 8.445 0.00 . 1 . . . . . 214 ALA H . 50386 1 1014 . 1 . 1 214 214 ALA C C 13 179.135 0.02 . 1 . . . . . 214 ALA C . 50386 1 1015 . 1 . 1 214 214 ALA CA C 13 53.318 0.01 . 1 . . . . . 214 ALA CA . 50386 1 1016 . 1 . 1 214 214 ALA CB C 13 17.287 0.02 . 1 . . . . . 214 ALA CB . 50386 1 1017 . 1 . 1 214 214 ALA N N 15 123.212 0.01 . 1 . . . . . 214 ALA N . 50386 1 1018 . 1 . 1 215 215 GLY H H 1 8.850 0.00 . 1 . . . . . 215 GLY H . 50386 1 1019 . 1 . 1 215 215 GLY C C 13 174.353 0.02 . 1 . . . . . 215 GLY C . 50386 1 1020 . 1 . 1 215 215 GLY CA C 13 45.014 0.03 . 1 . . . . . 215 GLY CA . 50386 1 1021 . 1 . 1 215 215 GLY N N 15 111.791 0.01 . 1 . . . . . 215 GLY N . 50386 1 1022 . 1 . 1 216 216 ASP H H 1 8.043 0.00 . 1 . . . . . 216 ASP H . 50386 1 1023 . 1 . 1 216 216 ASP C C 13 175.204 0.03 . 1 . . . . . 216 ASP C . 50386 1 1024 . 1 . 1 216 216 ASP CA C 13 55.127 0.00 . 1 . . . . . 216 ASP CA . 50386 1 1025 . 1 . 1 216 216 ASP CB C 13 40.721 0.01 . 1 . . . . . 216 ASP CB . 50386 1 1026 . 1 . 1 216 216 ASP N N 15 122.484 0.01 . 1 . . . . . 216 ASP N . 50386 1 1027 . 1 . 1 217 217 LEU H H 1 8.070 0.00 . 1 . . . . . 217 LEU H . 50386 1 1028 . 1 . 1 217 217 LEU C C 13 175.415 0.10 . 1 . . . . . 217 LEU C . 50386 1 1029 . 1 . 1 217 217 LEU CA C 13 54.500 0.03 . 1 . . . . . 217 LEU CA . 50386 1 1030 . 1 . 1 217 217 LEU CB C 13 42.111 0.07 . 1 . . . . . 217 LEU CB . 50386 1 1031 . 1 . 1 217 217 LEU N N 15 123.457 0.02 . 1 . . . . . 217 LEU N . 50386 1 1032 . 1 . 1 218 218 VAL H H 1 9.064 0.00 . 1 . . . . . 218 VAL H . 50386 1 1033 . 1 . 1 218 218 VAL C C 13 173.904 0.04 . 1 . . . . . 218 VAL C . 50386 1 1034 . 1 . 1 218 218 VAL CA C 13 58.861 0.09 . 1 . . . . . 218 VAL CA . 50386 1 1035 . 1 . 1 218 218 VAL CB C 13 35.266 0.00 . 1 . . . . . 218 VAL CB . 50386 1 1036 . 1 . 1 218 218 VAL N N 15 122.850 0.01 . 1 . . . . . 218 VAL N . 50386 1 1037 . 1 . 1 219 219 ILE H H 1 8.470 0.00 . 1 . . . . . 219 ILE H . 50386 1 1038 . 1 . 1 219 219 ILE C C 13 175.498 0.00 . 1 . . . . . 219 ILE C . 50386 1 1039 . 1 . 1 219 219 ILE CA C 13 59.281 0.08 . 1 . . . . . 219 ILE CA . 50386 1 1040 . 1 . 1 219 219 ILE CB C 13 40.036 0.11 . 1 . . . . . 219 ILE CB . 50386 1 1041 . 1 . 1 219 219 ILE N N 15 121.248 0.02 . 1 . . . . . 219 ILE N . 50386 1 1042 . 1 . 1 220 220 VAL H H 1 9.191 0.00 . 1 . . . . . 220 VAL H . 50386 1 1043 . 1 . 1 220 220 VAL C C 13 173.486 0.04 . 1 . . . . . 220 VAL C . 50386 1 1044 . 1 . 1 220 220 VAL CA C 13 61.078 0.00 . 1 . . . . . 220 VAL CA . 50386 1 1045 . 1 . 1 220 220 VAL CB C 13 33.045 0.03 . 1 . . . . . 220 VAL CB . 50386 1 1046 . 1 . 1 220 220 VAL N N 15 126.467 0.02 . 1 . . . . . 220 VAL N . 50386 1 1047 . 1 . 1 221 221 ASP H H 1 8.913 0.00 . 1 . . . . . 221 ASP H . 50386 1 1048 . 1 . 1 221 221 ASP C C 13 177.065 0.00 . 1 . . . . . 221 ASP C . 50386 1 1049 . 1 . 1 221 221 ASP CA C 13 51.935 0.00 . 1 . . . . . 221 ASP CA . 50386 1 1050 . 1 . 1 221 221 ASP CB C 13 40.398 0.02 . 1 . . . . . 221 ASP CB . 50386 1 1051 . 1 . 1 221 221 ASP N N 15 126.208 0.01 . 1 . . . . . 221 ASP N . 50386 1 1052 . 1 . 1 222 222 GLY H H 1 9.091 0.00 . 1 . . . . . 222 GLY H . 50386 1 1053 . 1 . 1 222 222 GLY C C 13 173.464 0.03 . 1 . . . . . 222 GLY C . 50386 1 1054 . 1 . 1 222 222 GLY CA C 13 45.261 0.03 . 1 . . . . . 222 GLY CA . 50386 1 1055 . 1 . 1 222 222 GLY N N 15 112.626 0.01 . 1 . . . . . 222 GLY N . 50386 1 1056 . 1 . 1 223 223 LEU H H 1 8.837 0.00 . 1 . . . . . 223 LEU H . 50386 1 1057 . 1 . 1 223 223 LEU C C 13 178.774 0.01 . 1 . . . . . 223 LEU C . 50386 1 1058 . 1 . 1 223 223 LEU CA C 13 56.448 0.01 . 1 . . . . . 223 LEU CA . 50386 1 1059 . 1 . 1 223 223 LEU CB C 13 40.005 0.01 . 1 . . . . . 223 LEU CB . 50386 1 1060 . 1 . 1 223 223 LEU N N 15 120.974 0.02 . 1 . . . . . 223 LEU N . 50386 1 1061 . 1 . 1 224 224 GLU H H 1 8.134 0.00 . 1 . . . . . 224 GLU H . 50386 1 1062 . 1 . 1 224 224 GLU C C 13 177.641 0.02 . 1 . . . . . 224 GLU C . 50386 1 1063 . 1 . 1 224 224 GLU CA C 13 55.431 0.01 . 1 . . . . . 224 GLU CA . 50386 1 1064 . 1 . 1 224 224 GLU CB C 13 30.601 0.02 . 1 . . . . . 224 GLU CB . 50386 1 1065 . 1 . 1 224 224 GLU N N 15 117.279 0.01 . 1 . . . . . 224 GLU N . 50386 1 1066 . 1 . 1 225 225 GLY H H 1 8.171 0.00 . 1 . . . . . 225 GLY H . 50386 1 1067 . 1 . 1 225 225 GLY C C 13 172.342 0.04 . 1 . . . . . 225 GLY C . 50386 1 1068 . 1 . 1 225 225 GLY CA C 13 46.751 0.04 . 1 . . . . . 225 GLY CA . 50386 1 1069 . 1 . 1 225 225 GLY N N 15 109.209 0.01 . 1 . . . . . 225 GLY N . 50386 1 1070 . 1 . 1 226 226 ILE H H 1 7.849 0.00 . 1 . . . . . 226 ILE H . 50386 1 1071 . 1 . 1 226 226 ILE C C 13 174.168 0.07 . 1 . . . . . 226 ILE C . 50386 1 1072 . 1 . 1 226 226 ILE CA C 13 58.052 0.02 . 1 . . . . . 226 ILE CA . 50386 1 1073 . 1 . 1 226 226 ILE CB C 13 42.508 0.13 . 1 . . . . . 226 ILE CB . 50386 1 1074 . 1 . 1 226 226 ILE N N 15 116.077 0.02 . 1 . . . . . 226 ILE N . 50386 1 1075 . 1 . 1 227 227 VAL H H 1 8.680 0.00 . 1 . . . . . 227 VAL H . 50386 1 1076 . 1 . 1 227 227 VAL C C 13 174.348 0.08 . 1 . . . . . 227 VAL C . 50386 1 1077 . 1 . 1 227 227 VAL CA C 13 59.831 0.01 . 1 . . . . . 227 VAL CA . 50386 1 1078 . 1 . 1 227 227 VAL CB C 13 35.001 0.01 . 1 . . . . . 227 VAL CB . 50386 1 1079 . 1 . 1 227 227 VAL N N 15 123.016 0.01 . 1 . . . . . 227 VAL N . 50386 1 1080 . 1 . 1 228 228 ILE H H 1 8.741 0.00 . 1 . . . . . 228 ILE H . 50386 1 1081 . 1 . 1 228 228 ILE C C 13 174.263 0.01 . 1 . . . . . 228 ILE C . 50386 1 1082 . 1 . 1 228 228 ILE CA C 13 60.071 0.02 . 1 . . . . . 228 ILE CA . 50386 1 1083 . 1 . 1 228 228 ILE CB C 13 40.168 0.01 . 1 . . . . . 228 ILE CB . 50386 1 1084 . 1 . 1 228 228 ILE N N 15 126.400 0.01 . 1 . . . . . 228 ILE N . 50386 1 1085 . 1 . 1 229 229 VAL H H 1 8.675 0.01 . 1 . . . . . 229 VAL H . 50386 1 1086 . 1 . 1 229 229 VAL C C 13 175.070 0.02 . 1 . . . . . 229 VAL C . 50386 1 1087 . 1 . 1 229 229 VAL CA C 13 61.333 0.00 . 1 . . . . . 229 VAL CA . 50386 1 1088 . 1 . 1 229 229 VAL CB C 13 32.137 0.00 . 1 . . . . . 229 VAL CB . 50386 1 1089 . 1 . 1 229 229 VAL N N 15 128.313 0.02 . 1 . . . . . 229 VAL N . 50386 1 1090 . 1 . 1 230 230 ASN H H 1 9.692 0.00 . 1 . . . . . 230 ASN H . 50386 1 1091 . 1 . 1 230 230 ASN C C 13 175.057 0.00 . 1 . . . . . 230 ASN C . 50386 1 1092 . 1 . 1 230 230 ASN CA C 13 54.222 0.00 . 1 . . . . . 230 ASN CA . 50386 1 1093 . 1 . 1 230 230 ASN CB C 13 36.939 0.00 . 1 . . . . . 230 ASN CB . 50386 1 1094 . 1 . 1 230 230 ASN N N 15 123.620 0.01 . 1 . . . . . 230 ASN N . 50386 1 1095 . 1 . 1 231 231 PRO C C 13 176.168 0.00 . 1 . . . . . 231 PRO C . 50386 1 1096 . 1 . 1 231 231 PRO CA C 13 61.333 0.00 . 1 . . . . . 231 PRO CA . 50386 1 1097 . 1 . 1 231 231 PRO CB C 13 31.720 0.00 . 1 . . . . . 231 PRO CB . 50386 1 1098 . 1 . 1 232 232 ASP H H 1 8.077 0.00 . 1 . . . . . 232 ASP H . 50386 1 1099 . 1 . 1 232 232 ASP C C 13 175.872 0.00 . 1 . . . . . 232 ASP C . 50386 1 1100 . 1 . 1 232 232 ASP CA C 13 52.388 0.00 . 1 . . . . . 232 ASP CA . 50386 1 1101 . 1 . 1 232 232 ASP CB C 13 40.772 0.02 . 1 . . . . . 232 ASP CB . 50386 1 1102 . 1 . 1 232 232 ASP N N 15 118.786 0.03 . 1 . . . . . 232 ASP N . 50386 1 1103 . 1 . 1 233 233 GLU H H 1 8.587 0.00 . 1 . . . . . 233 GLU H . 50386 1 1104 . 1 . 1 233 233 GLU C C 13 179.011 0.01 . 1 . . . . . 233 GLU C . 50386 1 1105 . 1 . 1 233 233 GLU CA C 13 59.961 0.01 . 1 . . . . . 233 GLU CA . 50386 1 1106 . 1 . 1 233 233 GLU CB C 13 28.930 0.00 . 1 . . . . . 233 GLU CB . 50386 1 1107 . 1 . 1 233 233 GLU N N 15 119.322 0.01 . 1 . . . . . 233 GLU N . 50386 1 1108 . 1 . 1 234 234 LYS H H 1 8.122 0.00 . 1 . . . . . 234 LYS H . 50386 1 1109 . 1 . 1 234 234 LYS C C 13 178.666 0.03 . 1 . . . . . 234 LYS C . 50386 1 1110 . 1 . 1 234 234 LYS CA C 13 58.627 0.00 . 1 . . . . . 234 LYS CA . 50386 1 1111 . 1 . 1 234 234 LYS CB C 13 30.800 0.01 . 1 . . . . . 234 LYS CB . 50386 1 1112 . 1 . 1 234 234 LYS N N 15 120.577 0.01 . 1 . . . . . 234 LYS N . 50386 1 1113 . 1 . 1 235 235 THR H H 1 8.060 0.00 . 1 . . . . . 235 THR H . 50386 1 1114 . 1 . 1 235 235 THR C C 13 177.814 0.85 . 1 . . . . . 235 THR C . 50386 1 1115 . 1 . 1 235 235 THR CA C 13 66.857 0.01 . 1 . . . . . 235 THR CA . 50386 1 1116 . 1 . 1 235 235 THR CB C 13 67.361 0.02 . 1 . . . . . 235 THR CB . 50386 1 1117 . 1 . 1 235 235 THR N N 15 119.222 0.03 . 1 . . . . . 235 THR N . 50386 1 1118 . 1 . 1 236 236 VAL H H 1 8.190 0.00 . 1 . . . . . 236 VAL H . 50386 1 1119 . 1 . 1 236 236 VAL C C 13 177.449 0.01 . 1 . . . . . 236 VAL C . 50386 1 1120 . 1 . 1 236 236 VAL CA C 13 67.903 0.01 . 1 . . . . . 236 VAL CA . 50386 1 1121 . 1 . 1 236 236 VAL CB C 13 30.550 0.08 . 1 . . . . . 236 VAL CB . 50386 1 1122 . 1 . 1 236 236 VAL N N 15 121.888 0.01 . 1 . . . . . 236 VAL N . 50386 1 1123 . 1 . 1 237 237 GLU H H 1 8.055 0.00 . 1 . . . . . 237 GLU H . 50386 1 1124 . 1 . 1 237 237 GLU C C 13 179.754 0.02 . 1 . . . . . 237 GLU C . 50386 1 1125 . 1 . 1 237 237 GLU CA C 13 59.432 0.02 . 1 . . . . . 237 GLU CA . 50386 1 1126 . 1 . 1 237 237 GLU CB C 13 28.384 0.02 . 1 . . . . . 237 GLU CB . 50386 1 1127 . 1 . 1 237 237 GLU N N 15 119.688 0.01 . 1 . . . . . 237 GLU N . 50386 1 1128 . 1 . 1 238 238 ASP H H 1 8.402 0.00 . 1 . . . . . 238 ASP H . 50386 1 1129 . 1 . 1 238 238 ASP C C 13 179.755 0.03 . 1 . . . . . 238 ASP C . 50386 1 1130 . 1 . 1 238 238 ASP CA C 13 57.150 0.01 . 1 . . . . . 238 ASP CA . 50386 1 1131 . 1 . 1 238 238 ASP CB C 13 40.040 0.01 . 1 . . . . . 238 ASP CB . 50386 1 1132 . 1 . 1 238 238 ASP N N 15 121.271 0.02 . 1 . . . . . 238 ASP N . 50386 1 1133 . 1 . 1 239 239 TYR H H 1 8.473 0.00 . 1 . . . . . 239 TYR H . 50386 1 1134 . 1 . 1 239 239 TYR C C 13 178.613 0.02 . 1 . . . . . 239 TYR C . 50386 1 1135 . 1 . 1 239 239 TYR CA C 13 63.648 0.00 . 1 . . . . . 239 TYR CA . 50386 1 1136 . 1 . 1 239 239 TYR CB C 13 37.354 0.01 . 1 . . . . . 239 TYR CB . 50386 1 1137 . 1 . 1 239 239 TYR N N 15 119.809 0.01 . 1 . . . . . 239 TYR N . 50386 1 1138 . 1 . 1 240 240 LYS H H 1 9.092 0.00 . 1 . . . . . 240 LYS H . 50386 1 1139 . 1 . 1 240 240 LYS C C 13 179.652 0.02 . 1 . . . . . 240 LYS C . 50386 1 1140 . 1 . 1 240 240 LYS CA C 13 60.252 0.00 . 1 . . . . . 240 LYS CA . 50386 1 1141 . 1 . 1 240 240 LYS CB C 13 31.300 0.01 . 1 . . . . . 240 LYS CB . 50386 1 1142 . 1 . 1 240 240 LYS N N 15 123.444 0.02 . 1 . . . . . 240 LYS N . 50386 1 1143 . 1 . 1 241 241 SER H H 1 7.797 0.00 . 1 . . . . . 241 SER H . 50386 1 1144 . 1 . 1 241 241 SER C C 13 177.386 0.00 . 1 . . . . . 241 SER C . 50386 1 1145 . 1 . 1 241 241 SER CA C 13 61.075 0.03 . 1 . . . . . 241 SER CA . 50386 1 1146 . 1 . 1 241 241 SER CB C 13 62.008 0.01 . 1 . . . . . 241 SER CB . 50386 1 1147 . 1 . 1 241 241 SER N N 15 115.517 0.01 . 1 . . . . . 241 SER N . 50386 1 1148 . 1 . 1 242 242 LYS H H 1 7.873 0.01 . 1 . . . . . 242 LYS H . 50386 1 1149 . 1 . 1 242 242 LYS C C 13 178.868 0.03 . 1 . . . . . 242 LYS C . 50386 1 1150 . 1 . 1 242 242 LYS CA C 13 59.428 0.14 . 1 . . . . . 242 LYS CA . 50386 1 1151 . 1 . 1 242 242 LYS CB C 13 32.091 0.03 . 1 . . . . . 242 LYS CB . 50386 1 1152 . 1 . 1 242 242 LYS N N 15 123.648 0.02 . 1 . . . . . 242 LYS N . 50386 1 1153 . 1 . 1 243 243 LYS H H 1 8.527 0.01 . 1 . . . . . 243 LYS H . 50386 1 1154 . 1 . 1 243 243 LYS C C 13 177.773 0.04 . 1 . . . . . 243 LYS C . 50386 1 1155 . 1 . 1 243 243 LYS CA C 13 59.681 0.08 . 1 . . . . . 243 LYS CA . 50386 1 1156 . 1 . 1 243 243 LYS CB C 13 32.490 0.11 . 1 . . . . . 243 LYS CB . 50386 1 1157 . 1 . 1 243 243 LYS N N 15 121.663 0.03 . 1 . . . . . 243 LYS N . 50386 1 1158 . 1 . 1 244 244 GLU H H 1 7.992 0.00 . 1 . . . . . 244 GLU H . 50386 1 1159 . 1 . 1 244 244 GLU C C 13 178.731 0.00 . 1 . . . . . 244 GLU C . 50386 1 1160 . 1 . 1 244 244 GLU CA C 13 58.465 0.00 . 1 . . . . . 244 GLU CA . 50386 1 1161 . 1 . 1 244 244 GLU CB C 13 28.917 0.01 . 1 . . . . . 244 GLU CB . 50386 1 1162 . 1 . 1 244 244 GLU N N 15 118.307 0.03 . 1 . . . . . 244 GLU N . 50386 1 1163 . 1 . 1 245 245 SER H H 1 7.861 0.00 . 1 . . . . . 245 SER H . 50386 1 1164 . 1 . 1 245 245 SER C C 13 175.298 0.01 . 1 . . . . . 245 SER C . 50386 1 1165 . 1 . 1 245 245 SER CA C 13 60.188 0.01 . 1 . . . . . 245 SER CA . 50386 1 1166 . 1 . 1 245 245 SER CB C 13 62.786 0.00 . 1 . . . . . 245 SER CB . 50386 1 1167 . 1 . 1 245 245 SER N N 15 113.524 0.01 . 1 . . . . . 245 SER N . 50386 1 1168 . 1 . 1 246 246 TYR H H 1 7.843 0.01 . 1 . . . . . 246 TYR H . 50386 1 1169 . 1 . 1 246 246 TYR C C 13 176.334 0.00 . 1 . . . . . 246 TYR C . 50386 1 1170 . 1 . 1 246 246 TYR CA C 13 59.359 0.01 . 1 . . . . . 246 TYR CA . 50386 1 1171 . 1 . 1 246 246 TYR CB C 13 38.159 0.02 . 1 . . . . . 246 TYR CB . 50386 1 1172 . 1 . 1 246 246 TYR N N 15 122.063 0.02 . 1 . . . . . 246 TYR N . 50386 1 1173 . 1 . 1 247 247 GLU H H 1 7.823 0.00 . 1 . . . . . 247 GLU H . 50386 1 1174 . 1 . 1 247 247 GLU C C 13 175.596 0.01 . 1 . . . . . 247 GLU C . 50386 1 1175 . 1 . 1 247 247 GLU CA C 13 56.444 0.11 . 1 . . . . . 247 GLU CA . 50386 1 1176 . 1 . 1 247 247 GLU CB C 13 29.557 0.03 . 1 . . . . . 247 GLU CB . 50386 1 1177 . 1 . 1 247 247 GLU N N 15 120.221 0.05 . 1 . . . . . 247 GLU N . 50386 1 1178 . 1 . 1 248 248 LYS H H 1 7.471 0.00 . 1 . . . . . 248 LYS H . 50386 1 1179 . 1 . 1 248 248 LYS C C 13 181.451 0.00 . 1 . . . . . 248 LYS C . 50386 1 1180 . 1 . 1 248 248 LYS CA C 13 57.811 0.00 . 1 . . . . . 248 LYS CA . 50386 1 1181 . 1 . 1 248 248 LYS CB C 13 32.518 0.00 . 1 . . . . . 248 LYS CB . 50386 1 1182 . 1 . 1 248 248 LYS N N 15 126.671 0.01 . 1 . . . . . 248 LYS N . 50386 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 50386 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'Phosphorylated tEIN' _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-13C HSQC' . . . 50386 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50386 2 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 2 2 LEU H H 1 8.976 0.00 . 1 . . . . . 2 LEU H . 50386 2 2 . 1 . 1 2 2 LEU HD11 H 1 0.668 0.00 . 1 . . . . . 2 LEU QD1 . 50386 2 3 . 1 . 1 2 2 LEU HD12 H 1 0.668 0.00 . 1 . . . . . 2 LEU QD1 . 50386 2 4 . 1 . 1 2 2 LEU HD13 H 1 0.668 0.00 . 1 . . . . . 2 LEU QD1 . 50386 2 5 . 1 . 1 2 2 LEU HD21 H 1 0.759 0.00 . 1 . . . . . 2 LEU QD2 . 50386 2 6 . 1 . 1 2 2 LEU HD22 H 1 0.759 0.00 . 1 . . . . . 2 LEU QD2 . 50386 2 7 . 1 . 1 2 2 LEU HD23 H 1 0.759 0.00 . 1 . . . . . 2 LEU QD2 . 50386 2 8 . 1 . 1 2 2 LEU CD1 C 13 25.284 0.00 . 1 . . . . . 2 LEU CD1 . 50386 2 9 . 1 . 1 2 2 LEU CD2 C 13 24.010 0.00 . 1 . . . . . 2 LEU CD2 . 50386 2 10 . 1 . 1 2 2 LEU N N 15 124.980 0.00 . 1 . . . . . 2 LEU N . 50386 2 11 . 1 . 1 3 3 LYS H H 1 8.346 0.00 . 1 . . . . . 3 LYS H . 50386 2 12 . 1 . 1 3 3 LYS N N 15 122.897 0.00 . 1 . . . . . 3 LYS N . 50386 2 13 . 1 . 1 4 4 GLY H H 1 8.526 0.00 . 1 . . . . . 4 GLY H . 50386 2 14 . 1 . 1 4 4 GLY N N 15 114.756 0.00 . 1 . . . . . 4 GLY N . 50386 2 15 . 1 . 1 5 5 VAL H H 1 8.900 0.00 . 1 . . . . . 5 VAL H . 50386 2 16 . 1 . 1 5 5 VAL HG11 H 1 0.927 0.00 . 1 . . . . . 5 VAL QG1 . 50386 2 17 . 1 . 1 5 5 VAL HG12 H 1 0.927 0.00 . 1 . . . . . 5 VAL QG1 . 50386 2 18 . 1 . 1 5 5 VAL HG13 H 1 0.927 0.00 . 1 . . . . . 5 VAL QG1 . 50386 2 19 . 1 . 1 5 5 VAL HG21 H 1 0.692 0.00 . 1 . . . . . 5 VAL QG2 . 50386 2 20 . 1 . 1 5 5 VAL HG22 H 1 0.692 0.00 . 1 . . . . . 5 VAL QG2 . 50386 2 21 . 1 . 1 5 5 VAL HG23 H 1 0.692 0.00 . 1 . . . . . 5 VAL QG2 . 50386 2 22 . 1 . 1 5 5 VAL CG1 C 13 20.613 0.00 . 1 . . . . . 5 VAL CG1 . 50386 2 23 . 1 . 1 5 5 VAL CG2 C 13 20.073 0.00 . 1 . . . . . 5 VAL CG2 . 50386 2 24 . 1 . 1 5 5 VAL N N 15 125.548 0.00 . 1 . . . . . 5 VAL N . 50386 2 25 . 1 . 1 6 6 ALA H H 1 8.901 0.00 . 1 . . . . . 6 ALA H . 50386 2 26 . 1 . 1 6 6 ALA N N 15 131.794 0.00 . 1 . . . . . 6 ALA N . 50386 2 27 . 1 . 1 7 7 ALA H H 1 8.124 0.00 . 1 . . . . . 7 ALA H . 50386 2 28 . 1 . 1 7 7 ALA N N 15 128.638 0.00 . 1 . . . . . 7 ALA N . 50386 2 29 . 1 . 1 8 8 SER H H 1 7.647 0.00 . 1 . . . . . 8 SER H . 50386 2 30 . 1 . 1 8 8 SER N N 15 112.608 0.00 . 1 . . . . . 8 SER N . 50386 2 31 . 1 . 1 10 10 GLY N N 15 102.857 0.00 . 1 . . . . . 10 GLY N . 50386 2 32 . 1 . 1 11 11 ILE H H 1 8.630 0.00 . 1 . . . . . 11 ILE H . 50386 2 33 . 1 . 1 11 11 ILE HD11 H 1 0.876 0.00 . 1 . . . . . 11 ILE QD1 . 50386 2 34 . 1 . 1 11 11 ILE HD12 H 1 0.876 0.00 . 1 . . . . . 11 ILE QD1 . 50386 2 35 . 1 . 1 11 11 ILE HD13 H 1 0.876 0.00 . 1 . . . . . 11 ILE QD1 . 50386 2 36 . 1 . 1 11 11 ILE CD1 C 13 13.091 0.00 . 1 . . . . . 11 ILE CD1 . 50386 2 37 . 1 . 1 11 11 ILE N N 15 119.396 0.00 . 1 . . . . . 11 ILE N . 50386 2 38 . 1 . 1 12 12 ALA H H 1 8.970 0.00 . 1 . . . . . 12 ALA H . 50386 2 39 . 1 . 1 12 12 ALA N N 15 129.053 0.00 . 1 . . . . . 12 ALA N . 50386 2 40 . 1 . 1 13 13 ILE H H 1 8.475 0.00 . 1 . . . . . 13 ILE H . 50386 2 41 . 1 . 1 13 13 ILE HD11 H 1 0.761 0.00 . 1 . . . . . 13 ILE QD1 . 50386 2 42 . 1 . 1 13 13 ILE HD12 H 1 0.761 0.00 . 1 . . . . . 13 ILE QD1 . 50386 2 43 . 1 . 1 13 13 ILE HD13 H 1 0.761 0.00 . 1 . . . . . 13 ILE QD1 . 50386 2 44 . 1 . 1 13 13 ILE CD1 C 13 14.065 0.00 . 1 . . . . . 13 ILE CD1 . 50386 2 45 . 1 . 1 13 13 ILE N N 15 121.351 0.00 . 1 . . . . . 13 ILE N . 50386 2 46 . 1 . 1 14 14 GLY H H 1 8.623 0.00 . 1 . . . . . 14 GLY H . 50386 2 47 . 1 . 1 14 14 GLY N N 15 112.105 0.00 . 1 . . . . . 14 GLY N . 50386 2 48 . 1 . 1 15 15 LYS H H 1 8.776 0.00 . 1 . . . . . 15 LYS H . 50386 2 49 . 1 . 1 15 15 LYS N N 15 120.753 0.00 . 1 . . . . . 15 LYS N . 50386 2 50 . 1 . 1 16 16 ALA H H 1 9.131 0.00 . 1 . . . . . 16 ALA H . 50386 2 51 . 1 . 1 16 16 ALA N N 15 124.224 0.00 . 1 . . . . . 16 ALA N . 50386 2 52 . 1 . 1 17 17 PHE H H 1 9.242 0.00 . 1 . . . . . 17 PHE H . 50386 2 53 . 1 . 1 17 17 PHE N N 15 126.965 0.00 . 1 . . . . . 17 PHE N . 50386 2 54 . 1 . 1 18 18 LEU H H 1 7.753 0.00 . 1 . . . . . 18 LEU H . 50386 2 55 . 1 . 1 18 18 LEU HD11 H 1 0.627 0.00 . 1 . . . . . 18 LEU QD1 . 50386 2 56 . 1 . 1 18 18 LEU HD12 H 1 0.627 0.00 . 1 . . . . . 18 LEU QD1 . 50386 2 57 . 1 . 1 18 18 LEU HD13 H 1 0.627 0.00 . 1 . . . . . 18 LEU QD1 . 50386 2 58 . 1 . 1 18 18 LEU HD21 H 1 0.682 0.00 . 1 . . . . . 18 LEU QD2 . 50386 2 59 . 1 . 1 18 18 LEU HD22 H 1 0.682 0.00 . 1 . . . . . 18 LEU QD2 . 50386 2 60 . 1 . 1 18 18 LEU HD23 H 1 0.682 0.00 . 1 . . . . . 18 LEU QD2 . 50386 2 61 . 1 . 1 18 18 LEU CD1 C 13 23.503 0.00 . 1 . . . . . 18 LEU CD1 . 50386 2 62 . 1 . 1 18 18 LEU CD2 C 13 23.248 0.00 . 1 . . . . . 18 LEU CD2 . 50386 2 63 . 1 . 1 18 18 LEU N N 15 130.888 0.00 . 1 . . . . . 18 LEU N . 50386 2 64 . 1 . 1 19 19 TYR H H 1 9.095 0.00 . 1 . . . . . 19 TYR H . 50386 2 65 . 1 . 1 19 19 TYR N N 15 129.166 0.00 . 1 . . . . . 19 TYR N . 50386 2 66 . 1 . 1 20 20 THR H H 1 7.610 0.00 . 1 . . . . . 20 THR H . 50386 2 67 . 1 . 1 20 20 THR N N 15 118.922 0.00 . 1 . . . . . 20 THR N . 50386 2 68 . 1 . 1 21 21 LYS H H 1 8.047 0.00 . 1 . . . . . 21 LYS H . 50386 2 69 . 1 . 1 21 21 LYS N N 15 123.087 0.00 . 1 . . . . . 21 LYS N . 50386 2 70 . 1 . 1 22 22 GLU H H 1 8.378 0.00 . 1 . . . . . 22 GLU H . 50386 2 71 . 1 . 1 22 22 GLU N N 15 123.954 0.00 . 1 . . . . . 22 GLU N . 50386 2 72 . 1 . 1 23 23 LYS H H 1 8.349 0.00 . 1 . . . . . 23 LYS H . 50386 2 73 . 1 . 1 23 23 LYS N N 15 123.931 0.00 . 1 . . . . . 23 LYS N . 50386 2 74 . 1 . 1 24 24 VAL H H 1 8.162 0.00 . 1 . . . . . 24 VAL H . 50386 2 75 . 1 . 1 24 24 VAL HG11 H 1 0.833 0.00 . 1 . . . . . 24 VAL QG1 . 50386 2 76 . 1 . 1 24 24 VAL HG12 H 1 0.833 0.00 . 1 . . . . . 24 VAL QG1 . 50386 2 77 . 1 . 1 24 24 VAL HG13 H 1 0.833 0.00 . 1 . . . . . 24 VAL QG1 . 50386 2 78 . 1 . 1 24 24 VAL HG21 H 1 0.867 0.00 . 1 . . . . . 24 VAL QG2 . 50386 2 79 . 1 . 1 24 24 VAL HG22 H 1 0.867 0.00 . 1 . . . . . 24 VAL QG2 . 50386 2 80 . 1 . 1 24 24 VAL HG23 H 1 0.867 0.00 . 1 . . . . . 24 VAL QG2 . 50386 2 81 . 1 . 1 24 24 VAL CG1 C 13 21.550 0.00 . 1 . . . . . 24 VAL CG1 . 50386 2 82 . 1 . 1 24 24 VAL CG2 C 13 20.172 0.00 . 1 . . . . . 24 VAL CG2 . 50386 2 83 . 1 . 1 24 24 VAL N N 15 122.785 0.00 . 1 . . . . . 24 VAL N . 50386 2 84 . 1 . 1 25 25 THR H H 1 8.129 0.00 . 1 . . . . . 25 THR H . 50386 2 85 . 1 . 1 25 25 THR N N 15 121.742 0.00 . 1 . . . . . 25 THR N . 50386 2 86 . 1 . 1 26 26 ILE H H 1 7.955 0.00 . 1 . . . . . 26 ILE H . 50386 2 87 . 1 . 1 26 26 ILE HD11 H 1 0.663 0.00 . 1 . . . . . 26 ILE QD1 . 50386 2 88 . 1 . 1 26 26 ILE HD12 H 1 0.663 0.00 . 1 . . . . . 26 ILE QD1 . 50386 2 89 . 1 . 1 26 26 ILE HD13 H 1 0.663 0.00 . 1 . . . . . 26 ILE QD1 . 50386 2 90 . 1 . 1 26 26 ILE CD1 C 13 10.856 0.00 . 1 . . . . . 26 ILE CD1 . 50386 2 91 . 1 . 1 26 26 ILE N N 15 126.161 0.00 . 1 . . . . . 26 ILE N . 50386 2 92 . 1 . 1 27 27 ASN H H 1 9.320 0.00 . 1 . . . . . 27 ASN H . 50386 2 93 . 1 . 1 27 27 ASN N N 15 127.559 0.00 . 1 . . . . . 27 ASN N . 50386 2 94 . 1 . 1 28 28 VAL H H 1 7.987 0.00 . 1 . . . . . 28 VAL H . 50386 2 95 . 1 . 1 28 28 VAL HG11 H 1 0.735 0.00 . 1 . . . . . 28 VAL QG1 . 50386 2 96 . 1 . 1 28 28 VAL HG12 H 1 0.735 0.00 . 1 . . . . . 28 VAL QG1 . 50386 2 97 . 1 . 1 28 28 VAL HG13 H 1 0.735 0.00 . 1 . . . . . 28 VAL QG1 . 50386 2 98 . 1 . 1 28 28 VAL HG21 H 1 0.784 0.00 . 1 . . . . . 28 VAL QG2 . 50386 2 99 . 1 . 1 28 28 VAL HG22 H 1 0.784 0.00 . 1 . . . . . 28 VAL QG2 . 50386 2 100 . 1 . 1 28 28 VAL HG23 H 1 0.784 0.00 . 1 . . . . . 28 VAL QG2 . 50386 2 101 . 1 . 1 28 28 VAL CG1 C 13 21.083 0.00 . 1 . . . . . 28 VAL CG1 . 50386 2 102 . 1 . 1 28 28 VAL CG2 C 13 17.799 0.00 . 1 . . . . . 28 VAL CG2 . 50386 2 103 . 1 . 1 28 28 VAL N N 15 117.518 0.00 . 1 . . . . . 28 VAL N . 50386 2 104 . 1 . 1 29 29 GLU H H 1 7.899 0.00 . 1 . . . . . 29 GLU H . 50386 2 105 . 1 . 1 29 29 GLU N N 15 123.605 0.00 . 1 . . . . . 29 GLU N . 50386 2 106 . 1 . 1 30 30 LYS H H 1 8.289 0.00 . 1 . . . . . 30 LYS H . 50386 2 107 . 1 . 1 30 30 LYS N N 15 122.237 0.00 . 1 . . . . . 30 LYS N . 50386 2 108 . 1 . 1 31 31 ILE H H 1 8.087 0.00 . 1 . . . . . 31 ILE H . 50386 2 109 . 1 . 1 31 31 ILE HD11 H 1 0.511 0.00 . 1 . . . . . 31 ILE QD1 . 50386 2 110 . 1 . 1 31 31 ILE HD12 H 1 0.511 0.00 . 1 . . . . . 31 ILE QD1 . 50386 2 111 . 1 . 1 31 31 ILE HD13 H 1 0.511 0.00 . 1 . . . . . 31 ILE QD1 . 50386 2 112 . 1 . 1 31 31 ILE CD1 C 13 14.342 0.00 . 1 . . . . . 31 ILE CD1 . 50386 2 113 . 1 . 1 31 31 ILE N N 15 116.439 0.00 . 1 . . . . . 31 ILE N . 50386 2 114 . 1 . 1 32 32 GLU H H 1 7.861 0.00 . 1 . . . . . 32 GLU H . 50386 2 115 . 1 . 1 32 32 GLU N N 15 118.533 0.00 . 1 . . . . . 32 GLU N . 50386 2 116 . 1 . 1 33 33 GLU H H 1 9.040 0.00 . 1 . . . . . 33 GLU H . 50386 2 117 . 1 . 1 33 33 GLU N N 15 122.843 0.00 . 1 . . . . . 33 GLU N . 50386 2 118 . 1 . 1 34 34 SER H H 1 8.126 0.00 . 1 . . . . . 34 SER H . 50386 2 119 . 1 . 1 34 34 SER N N 15 112.049 0.00 . 1 . . . . . 34 SER N . 50386 2 120 . 1 . 1 35 35 LYS H H 1 7.997 0.00 . 1 . . . . . 35 LYS H . 50386 2 121 . 1 . 1 35 35 LYS N N 15 121.772 0.00 . 1 . . . . . 35 LYS N . 50386 2 122 . 1 . 1 36 36 VAL H H 1 7.366 0.00 . 1 . . . . . 36 VAL H . 50386 2 123 . 1 . 1 36 36 VAL HG11 H 1 1.141 0.00 . 1 . . . . . 36 VAL QG1 . 50386 2 124 . 1 . 1 36 36 VAL HG12 H 1 1.141 0.00 . 1 . . . . . 36 VAL QG1 . 50386 2 125 . 1 . 1 36 36 VAL HG13 H 1 1.141 0.00 . 1 . . . . . 36 VAL QG1 . 50386 2 126 . 1 . 1 36 36 VAL HG21 H 1 0.920 0.00 . 1 . . . . . 36 VAL QG2 . 50386 2 127 . 1 . 1 36 36 VAL HG22 H 1 0.920 0.00 . 1 . . . . . 36 VAL QG2 . 50386 2 128 . 1 . 1 36 36 VAL HG23 H 1 0.920 0.00 . 1 . . . . . 36 VAL QG2 . 50386 2 129 . 1 . 1 36 36 VAL CG1 C 13 24.789 0.00 . 1 . . . . . 36 VAL CG1 . 50386 2 130 . 1 . 1 36 36 VAL CG2 C 13 21.785 0.00 . 1 . . . . . 36 VAL CG2 . 50386 2 131 . 1 . 1 36 36 VAL N N 15 122.450 0.00 . 1 . . . . . 36 VAL N . 50386 2 132 . 1 . 1 37 37 GLU H H 1 8.540 0.00 . 1 . . . . . 37 GLU H . 50386 2 133 . 1 . 1 37 37 GLU N N 15 117.820 0.00 . 1 . . . . . 37 GLU N . 50386 2 134 . 1 . 1 38 38 GLU H H 1 7.993 0.00 . 1 . . . . . 38 GLU H . 50386 2 135 . 1 . 1 38 38 GLU N N 15 121.406 0.00 . 1 . . . . . 38 GLU N . 50386 2 136 . 1 . 1 39 39 GLU H H 1 8.190 0.00 . 1 . . . . . 39 GLU H . 50386 2 137 . 1 . 1 39 39 GLU N N 15 122.254 0.00 . 1 . . . . . 39 GLU N . 50386 2 138 . 1 . 1 40 40 ILE H H 1 8.570 0.00 . 1 . . . . . 40 ILE H . 50386 2 139 . 1 . 1 40 40 ILE HD11 H 1 0.867 0.00 . 1 . . . . . 40 ILE QD1 . 50386 2 140 . 1 . 1 40 40 ILE HD12 H 1 0.867 0.00 . 1 . . . . . 40 ILE QD1 . 50386 2 141 . 1 . 1 40 40 ILE HD13 H 1 0.867 0.00 . 1 . . . . . 40 ILE QD1 . 50386 2 142 . 1 . 1 40 40 ILE CD1 C 13 13.782 0.00 . 1 . . . . . 40 ILE CD1 . 50386 2 143 . 1 . 1 40 40 ILE N N 15 120.722 0.00 . 1 . . . . . 40 ILE N . 50386 2 144 . 1 . 1 41 41 ALA H H 1 8.187 0.00 . 1 . . . . . 41 ALA H . 50386 2 145 . 1 . 1 41 41 ALA N N 15 122.645 0.00 . 1 . . . . . 41 ALA N . 50386 2 146 . 1 . 1 42 42 LYS H H 1 8.224 0.00 . 1 . . . . . 42 LYS H . 50386 2 147 . 1 . 1 42 42 LYS N N 15 120.223 0.00 . 1 . . . . . 42 LYS N . 50386 2 148 . 1 . 1 43 43 PHE H H 1 8.204 0.00 . 1 . . . . . 43 PHE H . 50386 2 149 . 1 . 1 43 43 PHE N N 15 120.992 0.00 . 1 . . . . . 43 PHE N . 50386 2 150 . 1 . 1 44 44 ARG H H 1 8.750 0.00 . 1 . . . . . 44 ARG H . 50386 2 151 . 1 . 1 44 44 ARG N N 15 119.093 0.00 . 1 . . . . . 44 ARG N . 50386 2 152 . 1 . 1 45 45 LYS H H 1 8.001 0.00 . 1 . . . . . 45 LYS H . 50386 2 153 . 1 . 1 45 45 LYS N N 15 120.329 0.00 . 1 . . . . . 45 LYS N . 50386 2 154 . 1 . 1 46 46 ALA H H 1 8.061 0.00 . 1 . . . . . 46 ALA H . 50386 2 155 . 1 . 1 46 46 ALA N N 15 121.593 0.00 . 1 . . . . . 46 ALA N . 50386 2 156 . 1 . 1 47 47 LEU H H 1 8.803 0.00 . 1 . . . . . 47 LEU H . 50386 2 157 . 1 . 1 47 47 LEU HD11 H 1 0.736 0.00 . 1 . . . . . 47 LEU QD1 . 50386 2 158 . 1 . 1 47 47 LEU HD12 H 1 0.736 0.00 . 1 . . . . . 47 LEU QD1 . 50386 2 159 . 1 . 1 47 47 LEU HD13 H 1 0.736 0.00 . 1 . . . . . 47 LEU QD1 . 50386 2 160 . 1 . 1 47 47 LEU HD21 H 1 0.860 0.00 . 1 . . . . . 47 LEU QD2 . 50386 2 161 . 1 . 1 47 47 LEU HD22 H 1 0.860 0.00 . 1 . . . . . 47 LEU QD2 . 50386 2 162 . 1 . 1 47 47 LEU HD23 H 1 0.860 0.00 . 1 . . . . . 47 LEU QD2 . 50386 2 163 . 1 . 1 47 47 LEU CD1 C 13 24.646 0.00 . 1 . . . . . 47 LEU CD1 . 50386 2 164 . 1 . 1 47 47 LEU CD2 C 13 22.809 0.00 . 1 . . . . . 47 LEU CD2 . 50386 2 165 . 1 . 1 47 47 LEU N N 15 123.705 0.00 . 1 . . . . . 47 LEU N . 50386 2 166 . 1 . 1 48 48 GLU H H 1 7.681 0.00 . 1 . . . . . 48 GLU H . 50386 2 167 . 1 . 1 48 48 GLU N N 15 121.117 0.00 . 1 . . . . . 48 GLU N . 50386 2 168 . 1 . 1 49 49 VAL H H 1 8.170 0.00 . 1 . . . . . 49 VAL H . 50386 2 169 . 1 . 1 49 49 VAL HG11 H 1 1.071 0.00 . 1 . . . . . 49 VAL QG1 . 50386 2 170 . 1 . 1 49 49 VAL HG12 H 1 1.071 0.00 . 1 . . . . . 49 VAL QG1 . 50386 2 171 . 1 . 1 49 49 VAL HG13 H 1 1.071 0.00 . 1 . . . . . 49 VAL QG1 . 50386 2 172 . 1 . 1 49 49 VAL HG21 H 1 0.910 0.00 . 1 . . . . . 49 VAL QG2 . 50386 2 173 . 1 . 1 49 49 VAL HG22 H 1 0.910 0.00 . 1 . . . . . 49 VAL QG2 . 50386 2 174 . 1 . 1 49 49 VAL HG23 H 1 0.910 0.00 . 1 . . . . . 49 VAL QG2 . 50386 2 175 . 1 . 1 49 49 VAL CG1 C 13 22.092 0.00 . 1 . . . . . 49 VAL CG1 . 50386 2 176 . 1 . 1 49 49 VAL CG2 C 13 20.602 0.00 . 1 . . . . . 49 VAL CG2 . 50386 2 177 . 1 . 1 49 49 VAL N N 15 119.404 0.00 . 1 . . . . . 49 VAL N . 50386 2 178 . 1 . 1 50 50 THR H H 1 8.044 0.00 . 1 . . . . . 50 THR H . 50386 2 179 . 1 . 1 50 50 THR N N 15 118.745 0.00 . 1 . . . . . 50 THR N . 50386 2 180 . 1 . 1 51 51 GLN H H 1 8.514 0.00 . 1 . . . . . 51 GLN H . 50386 2 181 . 1 . 1 51 51 GLN N N 15 120.831 0.00 . 1 . . . . . 51 GLN N . 50386 2 182 . 1 . 1 52 52 GLU H H 1 7.898 0.00 . 1 . . . . . 52 GLU H . 50386 2 183 . 1 . 1 52 52 GLU N N 15 119.311 0.00 . 1 . . . . . 52 GLU N . 50386 2 184 . 1 . 1 53 53 GLU H H 1 8.364 0.00 . 1 . . . . . 53 GLU H . 50386 2 185 . 1 . 1 53 53 GLU N N 15 120.257 0.00 . 1 . . . . . 53 GLU N . 50386 2 186 . 1 . 1 54 54 ILE HD11 H 1 0.798 0.00 . 1 . . . . . 54 ILE QD1 . 50386 2 187 . 1 . 1 54 54 ILE HD12 H 1 0.798 0.00 . 1 . . . . . 54 ILE QD1 . 50386 2 188 . 1 . 1 54 54 ILE HD13 H 1 0.798 0.00 . 1 . . . . . 54 ILE QD1 . 50386 2 189 . 1 . 1 54 54 ILE CD1 C 13 14.512 0.00 . 1 . . . . . 54 ILE CD1 . 50386 2 190 . 1 . 1 55 55 GLU H H 1 8.393 0.00 . 1 . . . . . 55 GLU H . 50386 2 191 . 1 . 1 55 55 GLU N N 15 121.242 0.00 . 1 . . . . . 55 GLU N . 50386 2 192 . 1 . 1 56 56 LYS H H 1 7.881 0.00 . 1 . . . . . 56 LYS H . 50386 2 193 . 1 . 1 56 56 LYS N N 15 119.261 0.00 . 1 . . . . . 56 LYS N . 50386 2 194 . 1 . 1 57 57 ILE H H 1 7.926 0.00 . 1 . . . . . 57 ILE H . 50386 2 195 . 1 . 1 57 57 ILE HD11 H 1 0.594 0.00 . 1 . . . . . 57 ILE QD1 . 50386 2 196 . 1 . 1 57 57 ILE HD12 H 1 0.594 0.00 . 1 . . . . . 57 ILE QD1 . 50386 2 197 . 1 . 1 57 57 ILE HD13 H 1 0.594 0.00 . 1 . . . . . 57 ILE QD1 . 50386 2 198 . 1 . 1 57 57 ILE CD1 C 13 13.093 0.00 . 1 . . . . . 57 ILE CD1 . 50386 2 199 . 1 . 1 57 57 ILE N N 15 122.745 0.00 . 1 . . . . . 57 ILE N . 50386 2 200 . 1 . 1 58 58 LYS H H 1 8.535 0.00 . 1 . . . . . 58 LYS H . 50386 2 201 . 1 . 1 58 58 LYS N N 15 122.468 0.00 . 1 . . . . . 58 LYS N . 50386 2 202 . 1 . 1 59 59 GLU H H 1 8.007 0.00 . 1 . . . . . 59 GLU H . 50386 2 203 . 1 . 1 59 59 GLU N N 15 118.660 0.00 . 1 . . . . . 59 GLU N . 50386 2 204 . 1 . 1 60 60 LYS H H 1 7.710 0.00 . 1 . . . . . 60 LYS H . 50386 2 205 . 1 . 1 60 60 LYS N N 15 121.109 0.00 . 1 . . . . . 60 LYS N . 50386 2 206 . 1 . 1 61 61 ALA H H 1 8.580 0.00 . 1 . . . . . 61 ALA H . 50386 2 207 . 1 . 1 61 61 ALA N N 15 122.012 0.00 . 1 . . . . . 61 ALA N . 50386 2 208 . 1 . 1 62 62 LEU H H 1 8.475 0.00 . 1 . . . . . 62 LEU H . 50386 2 209 . 1 . 1 62 62 LEU HD11 H 1 0.871 0.00 . 1 . . . . . 62 LEU QD1 . 50386 2 210 . 1 . 1 62 62 LEU HD12 H 1 0.871 0.00 . 1 . . . . . 62 LEU QD1 . 50386 2 211 . 1 . 1 62 62 LEU HD13 H 1 0.871 0.00 . 1 . . . . . 62 LEU QD1 . 50386 2 212 . 1 . 1 62 62 LEU HD21 H 1 0.802 0.00 . 1 . . . . . 62 LEU QD2 . 50386 2 213 . 1 . 1 62 62 LEU HD22 H 1 0.802 0.00 . 1 . . . . . 62 LEU QD2 . 50386 2 214 . 1 . 1 62 62 LEU HD23 H 1 0.802 0.00 . 1 . . . . . 62 LEU QD2 . 50386 2 215 . 1 . 1 62 62 LEU CD1 C 13 24.987 0.00 . 1 . . . . . 62 LEU CD1 . 50386 2 216 . 1 . 1 62 62 LEU CD2 C 13 23.425 0.00 . 1 . . . . . 62 LEU CD2 . 50386 2 217 . 1 . 1 62 62 LEU N N 15 120.093 0.00 . 1 . . . . . 62 LEU N . 50386 2 218 . 1 . 1 63 63 LYS H H 1 7.563 0.00 . 1 . . . . . 63 LYS H . 50386 2 219 . 1 . 1 63 63 LYS N N 15 117.893 0.00 . 1 . . . . . 63 LYS N . 50386 2 220 . 1 . 1 64 64 GLU H H 1 8.175 0.00 . 1 . . . . . 64 GLU H . 50386 2 221 . 1 . 1 64 64 GLU N N 15 116.751 0.00 . 1 . . . . . 64 GLU N . 50386 2 222 . 1 . 1 65 65 PHE H H 1 8.528 0.00 . 1 . . . . . 65 PHE H . 50386 2 223 . 1 . 1 65 65 PHE N N 15 115.378 0.00 . 1 . . . . . 65 PHE N . 50386 2 224 . 1 . 1 66 66 GLY H H 1 8.100 0.00 . 1 . . . . . 66 GLY H . 50386 2 225 . 1 . 1 66 66 GLY N N 15 110.064 0.00 . 1 . . . . . 66 GLY N . 50386 2 226 . 1 . 1 67 67 LYS H H 1 8.474 0.00 . 1 . . . . . 67 LYS H . 50386 2 227 . 1 . 1 67 67 LYS N N 15 119.656 0.00 . 1 . . . . . 67 LYS N . 50386 2 228 . 1 . 1 68 68 GLU H H 1 8.877 0.00 . 1 . . . . . 68 GLU H . 50386 2 229 . 1 . 1 68 68 GLU N N 15 118.631 0.00 . 1 . . . . . 68 GLU N . 50386 2 230 . 1 . 1 69 69 LYS H H 1 7.602 0.00 . 1 . . . . . 69 LYS H . 50386 2 231 . 1 . 1 69 69 LYS N N 15 117.890 0.00 . 1 . . . . . 69 LYS N . 50386 2 232 . 1 . 1 70 70 ALA H H 1 7.697 0.00 . 1 . . . . . 70 ALA H . 50386 2 233 . 1 . 1 70 70 ALA N N 15 119.958 0.00 . 1 . . . . . 70 ALA N . 50386 2 234 . 1 . 1 71 71 GLU H H 1 7.877 0.00 . 1 . . . . . 71 GLU H . 50386 2 235 . 1 . 1 71 71 GLU N N 15 116.923 0.00 . 1 . . . . . 71 GLU N . 50386 2 236 . 1 . 1 72 72 ILE H H 1 7.284 0.00 . 1 . . . . . 72 ILE H . 50386 2 237 . 1 . 1 72 72 ILE HD11 H 1 0.631 0.00 . 1 . . . . . 72 ILE QD1 . 50386 2 238 . 1 . 1 72 72 ILE HD12 H 1 0.631 0.00 . 1 . . . . . 72 ILE QD1 . 50386 2 239 . 1 . 1 72 72 ILE HD13 H 1 0.631 0.00 . 1 . . . . . 72 ILE QD1 . 50386 2 240 . 1 . 1 72 72 ILE CD1 C 13 13.250 0.00 . 1 . . . . . 72 ILE CD1 . 50386 2 241 . 1 . 1 72 72 ILE N N 15 119.930 0.00 . 1 . . . . . 72 ILE N . 50386 2 242 . 1 . 1 73 73 PHE H H 1 6.794 0.00 . 1 . . . . . 73 PHE H . 50386 2 243 . 1 . 1 73 73 PHE N N 15 116.770 0.00 . 1 . . . . . 73 PHE N . 50386 2 244 . 1 . 1 75 75 ALA H H 1 7.600 0.00 . 1 . . . . . 75 ALA H . 50386 2 245 . 1 . 1 75 75 ALA N N 15 121.840 0.00 . 1 . . . . . 75 ALA N . 50386 2 246 . 1 . 1 76 76 HIS H H 1 7.942 0.00 . 1 . . . . . 76 HIS H . 50386 2 247 . 1 . 1 76 76 HIS N N 15 118.259 0.00 . 1 . . . . . 76 HIS N . 50386 2 248 . 1 . 1 77 77 LEU H H 1 8.121 0.00 . 1 . . . . . 77 LEU H . 50386 2 249 . 1 . 1 77 77 LEU N N 15 119.685 0.00 . 1 . . . . . 77 LEU N . 50386 2 250 . 1 . 1 78 78 MET H H 1 8.010 0.00 . 1 . . . . . 78 MET H . 50386 2 251 . 1 . 1 78 78 MET N N 15 120.104 0.00 . 1 . . . . . 78 MET N . 50386 2 252 . 1 . 1 79 79 LEU H H 1 7.994 0.00 . 1 . . . . . 79 LEU H . 50386 2 253 . 1 . 1 79 79 LEU HD11 H 1 0.750 0.00 . 1 . . . . . 79 LEU QD1 . 50386 2 254 . 1 . 1 79 79 LEU HD12 H 1 0.750 0.00 . 1 . . . . . 79 LEU QD1 . 50386 2 255 . 1 . 1 79 79 LEU HD13 H 1 0.750 0.00 . 1 . . . . . 79 LEU QD1 . 50386 2 256 . 1 . 1 79 79 LEU HD21 H 1 0.912 0.00 . 1 . . . . . 79 LEU QD2 . 50386 2 257 . 1 . 1 79 79 LEU HD22 H 1 0.912 0.00 . 1 . . . . . 79 LEU QD2 . 50386 2 258 . 1 . 1 79 79 LEU HD23 H 1 0.912 0.00 . 1 . . . . . 79 LEU QD2 . 50386 2 259 . 1 . 1 79 79 LEU CD1 C 13 26.332 0.00 . 1 . . . . . 79 LEU CD1 . 50386 2 260 . 1 . 1 79 79 LEU CD2 C 13 22.474 0.00 . 1 . . . . . 79 LEU CD2 . 50386 2 261 . 1 . 1 79 79 LEU N N 15 121.170 0.00 . 1 . . . . . 79 LEU N . 50386 2 262 . 1 . 1 80 80 ALA H H 1 7.972 0.00 . 1 . . . . . 80 ALA H . 50386 2 263 . 1 . 1 80 80 ALA N N 15 116.370 0.00 . 1 . . . . . 80 ALA N . 50386 2 264 . 1 . 1 81 81 SER H H 1 7.238 0.00 . 1 . . . . . 81 SER H . 50386 2 265 . 1 . 1 81 81 SER N N 15 108.033 0.00 . 1 . . . . . 81 SER N . 50386 2 266 . 1 . 1 82 82 ASP H H 1 7.089 0.00 . 1 . . . . . 82 ASP H . 50386 2 267 . 1 . 1 82 82 ASP N N 15 125.557 0.00 . 1 . . . . . 82 ASP N . 50386 2 268 . 1 . 1 84 84 GLU H H 1 8.457 0.00 . 1 . . . . . 84 GLU H . 50386 2 269 . 1 . 1 84 84 GLU N N 15 117.611 0.00 . 1 . . . . . 84 GLU N . 50386 2 270 . 1 . 1 85 85 LEU H H 1 7.606 0.00 . 1 . . . . . 85 LEU H . 50386 2 271 . 1 . 1 85 85 LEU HD11 H 1 0.923 0.00 . 1 . . . . . 85 LEU QD1 . 50386 2 272 . 1 . 1 85 85 LEU HD12 H 1 0.923 0.00 . 1 . . . . . 85 LEU QD1 . 50386 2 273 . 1 . 1 85 85 LEU HD13 H 1 0.923 0.00 . 1 . . . . . 85 LEU QD1 . 50386 2 274 . 1 . 1 85 85 LEU HD21 H 1 0.859 0.00 . 1 . . . . . 85 LEU QD2 . 50386 2 275 . 1 . 1 85 85 LEU HD22 H 1 0.859 0.00 . 1 . . . . . 85 LEU QD2 . 50386 2 276 . 1 . 1 85 85 LEU HD23 H 1 0.859 0.00 . 1 . . . . . 85 LEU QD2 . 50386 2 277 . 1 . 1 85 85 LEU CD1 C 13 24.966 0.00 . 1 . . . . . 85 LEU CD1 . 50386 2 278 . 1 . 1 85 85 LEU CD2 C 13 23.963 0.00 . 1 . . . . . 85 LEU CD2 . 50386 2 279 . 1 . 1 85 85 LEU N N 15 124.295 0.00 . 1 . . . . . 85 LEU N . 50386 2 280 . 1 . 1 86 86 ILE H H 1 7.526 0.00 . 1 . . . . . 86 ILE H . 50386 2 281 . 1 . 1 86 86 ILE HD11 H 1 0.749 0.00 . 1 . . . . . 86 ILE QD1 . 50386 2 282 . 1 . 1 86 86 ILE HD12 H 1 0.749 0.00 . 1 . . . . . 86 ILE QD1 . 50386 2 283 . 1 . 1 86 86 ILE HD13 H 1 0.749 0.00 . 1 . . . . . 86 ILE QD1 . 50386 2 284 . 1 . 1 86 86 ILE CD1 C 13 13.755 0.00 . 1 . . . . . 86 ILE CD1 . 50386 2 285 . 1 . 1 86 86 ILE N N 15 118.624 0.00 . 1 . . . . . 86 ILE N . 50386 2 286 . 1 . 1 87 87 GLU H H 1 8.313 0.00 . 1 . . . . . 87 GLU H . 50386 2 287 . 1 . 1 87 87 GLU N N 15 117.755 0.00 . 1 . . . . . 87 GLU N . 50386 2 288 . 1 . 1 88 88 GLY H H 1 7.802 0.00 . 1 . . . . . 88 GLY H . 50386 2 289 . 1 . 1 88 88 GLY N N 15 106.768 0.00 . 1 . . . . . 88 GLY N . 50386 2 290 . 1 . 1 89 89 VAL H H 1 8.167 0.00 . 1 . . . . . 89 VAL H . 50386 2 291 . 1 . 1 89 89 VAL HG11 H 1 0.707 0.00 . 1 . . . . . 89 VAL QG1 . 50386 2 292 . 1 . 1 89 89 VAL HG12 H 1 0.707 0.00 . 1 . . . . . 89 VAL QG1 . 50386 2 293 . 1 . 1 89 89 VAL HG13 H 1 0.707 0.00 . 1 . . . . . 89 VAL QG1 . 50386 2 294 . 1 . 1 89 89 VAL HG21 H 1 -0.340 0.00 . 1 . . . . . 89 VAL QG2 . 50386 2 295 . 1 . 1 89 89 VAL HG22 H 1 -0.340 0.00 . 1 . . . . . 89 VAL QG2 . 50386 2 296 . 1 . 1 89 89 VAL HG23 H 1 -0.340 0.00 . 1 . . . . . 89 VAL QG2 . 50386 2 297 . 1 . 1 89 89 VAL CG1 C 13 22.442 0.00 . 1 . . . . . 89 VAL CG1 . 50386 2 298 . 1 . 1 89 89 VAL CG2 C 13 19.072 0.00 . 1 . . . . . 89 VAL CG2 . 50386 2 299 . 1 . 1 89 89 VAL N N 15 123.438 0.00 . 1 . . . . . 89 VAL N . 50386 2 300 . 1 . 1 90 90 GLU H H 1 8.191 0.00 . 1 . . . . . 90 GLU H . 50386 2 301 . 1 . 1 90 90 GLU N N 15 118.295 0.00 . 1 . . . . . 90 GLU N . 50386 2 302 . 1 . 1 91 91 ASN H H 1 8.674 0.00 . 1 . . . . . 91 ASN H . 50386 2 303 . 1 . 1 91 91 ASN N N 15 115.223 0.00 . 1 . . . . . 91 ASN N . 50386 2 304 . 1 . 1 92 92 MET H H 1 7.802 0.00 . 1 . . . . . 92 MET H . 50386 2 305 . 1 . 1 92 92 MET N N 15 123.077 0.00 . 1 . . . . . 92 MET N . 50386 2 306 . 1 . 1 93 93 ILE H H 1 7.987 0.00 . 1 . . . . . 93 ILE H . 50386 2 307 . 1 . 1 93 93 ILE HD11 H 1 0.569 0.00 . 1 . . . . . 93 ILE QD1 . 50386 2 308 . 1 . 1 93 93 ILE HD12 H 1 0.569 0.00 . 1 . . . . . 93 ILE QD1 . 50386 2 309 . 1 . 1 93 93 ILE HD13 H 1 0.569 0.00 . 1 . . . . . 93 ILE QD1 . 50386 2 310 . 1 . 1 93 93 ILE CD1 C 13 14.385 0.00 . 1 . . . . . 93 ILE CD1 . 50386 2 311 . 1 . 1 93 93 ILE N N 15 120.338 0.00 . 1 . . . . . 93 ILE N . 50386 2 312 . 1 . 1 94 94 LYS H H 1 7.540 0.00 . 1 . . . . . 94 LYS H . 50386 2 313 . 1 . 1 94 94 LYS N N 15 113.315 0.00 . 1 . . . . . 94 LYS N . 50386 2 314 . 1 . 1 95 95 THR H H 1 8.229 0.00 . 1 . . . . . 95 THR H . 50386 2 315 . 1 . 1 95 95 THR N N 15 109.481 0.00 . 1 . . . . . 95 THR N . 50386 2 316 . 1 . 1 96 96 GLU H H 1 8.319 0.00 . 1 . . . . . 96 GLU H . 50386 2 317 . 1 . 1 96 96 GLU N N 15 120.058 0.00 . 1 . . . . . 96 GLU N . 50386 2 318 . 1 . 1 97 97 LEU H H 1 7.609 0.00 . 1 . . . . . 97 LEU H . 50386 2 319 . 1 . 1 97 97 LEU HD11 H 1 0.881 0.00 . 1 . . . . . 97 LEU QD1 . 50386 2 320 . 1 . 1 97 97 LEU HD12 H 1 0.881 0.00 . 1 . . . . . 97 LEU QD1 . 50386 2 321 . 1 . 1 97 97 LEU HD13 H 1 0.881 0.00 . 1 . . . . . 97 LEU QD1 . 50386 2 322 . 1 . 1 97 97 LEU HD21 H 1 0.682 0.00 . 1 . . . . . 97 LEU QD2 . 50386 2 323 . 1 . 1 97 97 LEU HD22 H 1 0.682 0.00 . 1 . . . . . 97 LEU QD2 . 50386 2 324 . 1 . 1 97 97 LEU HD23 H 1 0.682 0.00 . 1 . . . . . 97 LEU QD2 . 50386 2 325 . 1 . 1 97 97 LEU CD1 C 13 25.899 0.00 . 1 . . . . . 97 LEU CD1 . 50386 2 326 . 1 . 1 97 97 LEU CD2 C 13 23.248 0.00 . 1 . . . . . 97 LEU CD2 . 50386 2 327 . 1 . 1 97 97 LEU N N 15 117.873 0.00 . 1 . . . . . 97 LEU N . 50386 2 328 . 1 . 1 98 98 VAL H H 1 6.411 0.00 . 1 . . . . . 98 VAL H . 50386 2 329 . 1 . 1 98 98 VAL HG11 H 1 0.707 0.00 . 1 . . . . . 98 VAL QG1 . 50386 2 330 . 1 . 1 98 98 VAL HG12 H 1 0.707 0.00 . 1 . . . . . 98 VAL QG1 . 50386 2 331 . 1 . 1 98 98 VAL HG13 H 1 0.707 0.00 . 1 . . . . . 98 VAL QG1 . 50386 2 332 . 1 . 1 98 98 VAL HG21 H 1 0.543 0.00 . 1 . . . . . 98 VAL QG2 . 50386 2 333 . 1 . 1 98 98 VAL HG22 H 1 0.543 0.00 . 1 . . . . . 98 VAL QG2 . 50386 2 334 . 1 . 1 98 98 VAL HG23 H 1 0.543 0.00 . 1 . . . . . 98 VAL QG2 . 50386 2 335 . 1 . 1 98 98 VAL CG1 C 13 21.987 0.00 . 1 . . . . . 98 VAL CG1 . 50386 2 336 . 1 . 1 98 98 VAL CG2 C 13 17.990 0.00 . 1 . . . . . 98 VAL CG2 . 50386 2 337 . 1 . 1 98 98 VAL N N 15 107.825 0.00 . 1 . . . . . 98 VAL N . 50386 2 338 . 1 . 1 99 99 THR H H 1 8.712 0.00 . 1 . . . . . 99 THR H . 50386 2 339 . 1 . 1 99 99 THR N N 15 106.900 0.00 . 1 . . . . . 99 THR N . 50386 2 340 . 1 . 1 100 100 ALA H H 1 10.576 0.00 . 1 . . . . . 100 ALA H . 50386 2 341 . 1 . 1 100 100 ALA N N 15 122.193 0.00 . 1 . . . . . 100 ALA N . 50386 2 342 . 1 . 1 101 101 ASP H H 1 9.192 0.00 . 1 . . . . . 101 ASP H . 50386 2 343 . 1 . 1 101 101 ASP N N 15 112.008 0.00 . 1 . . . . . 101 ASP N . 50386 2 344 . 1 . 1 102 102 ASN H H 1 7.084 0.00 . 1 . . . . . 102 ASN H . 50386 2 345 . 1 . 1 102 102 ASN N N 15 119.739 0.00 . 1 . . . . . 102 ASN N . 50386 2 346 . 1 . 1 103 103 ALA H H 1 8.557 0.00 . 1 . . . . . 103 ALA H . 50386 2 347 . 1 . 1 103 103 ALA N N 15 120.017 0.00 . 1 . . . . . 103 ALA N . 50386 2 348 . 1 . 1 104 104 VAL H H 1 8.539 0.00 . 1 . . . . . 104 VAL H . 50386 2 349 . 1 . 1 104 104 VAL HG11 H 1 1.061 0.00 . 1 . . . . . 104 VAL QG1 . 50386 2 350 . 1 . 1 104 104 VAL HG12 H 1 1.061 0.00 . 1 . . . . . 104 VAL QG1 . 50386 2 351 . 1 . 1 104 104 VAL HG13 H 1 1.061 0.00 . 1 . . . . . 104 VAL QG1 . 50386 2 352 . 1 . 1 104 104 VAL HG21 H 1 0.898 0.00 . 1 . . . . . 104 VAL QG2 . 50386 2 353 . 1 . 1 104 104 VAL HG22 H 1 0.898 0.00 . 1 . . . . . 104 VAL QG2 . 50386 2 354 . 1 . 1 104 104 VAL HG23 H 1 0.898 0.00 . 1 . . . . . 104 VAL QG2 . 50386 2 355 . 1 . 1 104 104 VAL CG1 C 13 25.270 0.00 . 1 . . . . . 104 VAL CG1 . 50386 2 356 . 1 . 1 104 104 VAL CG2 C 13 22.357 0.00 . 1 . . . . . 104 VAL CG2 . 50386 2 357 . 1 . 1 104 104 VAL N N 15 115.930 0.00 . 1 . . . . . 104 VAL N . 50386 2 358 . 1 . 1 105 105 ASN H H 1 7.609 0.00 . 1 . . . . . 105 ASN H . 50386 2 359 . 1 . 1 105 105 ASN N N 15 116.563 0.00 . 1 . . . . . 105 ASN N . 50386 2 360 . 1 . 1 106 106 LYS H H 1 8.605 0.00 . 1 . . . . . 106 LYS H . 50386 2 361 . 1 . 1 106 106 LYS N N 15 117.525 0.00 . 1 . . . . . 106 LYS N . 50386 2 362 . 1 . 1 107 107 VAL H H 1 8.530 0.00 . 1 . . . . . 107 VAL H . 50386 2 363 . 1 . 1 107 107 VAL HG11 H 1 0.848 0.00 . 1 . . . . . 107 VAL QG1 . 50386 2 364 . 1 . 1 107 107 VAL HG12 H 1 0.848 0.00 . 1 . . . . . 107 VAL QG1 . 50386 2 365 . 1 . 1 107 107 VAL HG13 H 1 0.848 0.00 . 1 . . . . . 107 VAL QG1 . 50386 2 366 . 1 . 1 107 107 VAL HG21 H 1 0.867 0.00 . 1 . . . . . 107 VAL QG2 . 50386 2 367 . 1 . 1 107 107 VAL HG22 H 1 0.867 0.00 . 1 . . . . . 107 VAL QG2 . 50386 2 368 . 1 . 1 107 107 VAL HG23 H 1 0.867 0.00 . 1 . . . . . 107 VAL QG2 . 50386 2 369 . 1 . 1 107 107 VAL CG1 C 13 22.804 0.00 . 1 . . . . . 107 VAL CG1 . 50386 2 370 . 1 . 1 107 107 VAL CG2 C 13 21.454 0.00 . 1 . . . . . 107 VAL CG2 . 50386 2 371 . 1 . 1 107 107 VAL N N 15 121.470 0.00 . 1 . . . . . 107 VAL N . 50386 2 372 . 1 . 1 108 108 ILE H H 1 8.596 0.00 . 1 . . . . . 108 ILE H . 50386 2 373 . 1 . 1 108 108 ILE HD11 H 1 0.690 0.00 . 1 . . . . . 108 ILE QD1 . 50386 2 374 . 1 . 1 108 108 ILE HD12 H 1 0.690 0.00 . 1 . . . . . 108 ILE QD1 . 50386 2 375 . 1 . 1 108 108 ILE HD13 H 1 0.690 0.00 . 1 . . . . . 108 ILE QD1 . 50386 2 376 . 1 . 1 108 108 ILE CD1 C 13 10.307 0.00 . 1 . . . . . 108 ILE CD1 . 50386 2 377 . 1 . 1 108 108 ILE N N 15 120.717 0.00 . 1 . . . . . 108 ILE N . 50386 2 378 . 1 . 1 109 109 GLU H H 1 8.109 0.00 . 1 . . . . . 109 GLU H . 50386 2 379 . 1 . 1 109 109 GLU N N 15 118.822 0.00 . 1 . . . . . 109 GLU N . 50386 2 380 . 1 . 1 110 110 GLN H H 1 8.236 0.00 . 1 . . . . . 110 GLN H . 50386 2 381 . 1 . 1 110 110 GLN N N 15 119.878 0.00 . 1 . . . . . 110 GLN N . 50386 2 382 . 1 . 1 111 111 ASN H H 1 8.263 0.00 . 1 . . . . . 111 ASN H . 50386 2 383 . 1 . 1 111 111 ASN N N 15 118.842 0.00 . 1 . . . . . 111 ASN N . 50386 2 384 . 1 . 1 112 112 ALA H H 1 9.263 0.00 . 1 . . . . . 112 ALA H . 50386 2 385 . 1 . 1 112 112 ALA N N 15 123.798 0.00 . 1 . . . . . 112 ALA N . 50386 2 386 . 1 . 1 113 113 SER H H 1 8.037 0.00 . 1 . . . . . 113 SER H . 50386 2 387 . 1 . 1 113 113 SER N N 15 113.001 0.00 . 1 . . . . . 113 SER N . 50386 2 388 . 1 . 1 114 114 VAL H H 1 7.484 0.00 . 1 . . . . . 114 VAL H . 50386 2 389 . 1 . 1 114 114 VAL HG11 H 1 1.060 0.00 . 1 . . . . . 114 VAL QG1 . 50386 2 390 . 1 . 1 114 114 VAL HG12 H 1 1.060 0.00 . 1 . . . . . 114 VAL QG1 . 50386 2 391 . 1 . 1 114 114 VAL HG13 H 1 1.060 0.00 . 1 . . . . . 114 VAL QG1 . 50386 2 392 . 1 . 1 114 114 VAL HG21 H 1 0.874 0.00 . 1 . . . . . 114 VAL QG2 . 50386 2 393 . 1 . 1 114 114 VAL HG22 H 1 0.874 0.00 . 1 . . . . . 114 VAL QG2 . 50386 2 394 . 1 . 1 114 114 VAL HG23 H 1 0.874 0.00 . 1 . . . . . 114 VAL QG2 . 50386 2 395 . 1 . 1 114 114 VAL CG1 C 13 22.387 0.00 . 1 . . . . . 114 VAL CG1 . 50386 2 396 . 1 . 1 114 114 VAL CG2 C 13 20.687 0.00 . 1 . . . . . 114 VAL CG2 . 50386 2 397 . 1 . 1 114 114 VAL N N 15 122.873 0.00 . 1 . . . . . 114 VAL N . 50386 2 398 . 1 . 1 115 115 MET H H 1 7.685 0.00 . 1 . . . . . 115 MET H . 50386 2 399 . 1 . 1 115 115 MET N N 15 120.056 0.00 . 1 . . . . . 115 MET N . 50386 2 400 . 1 . 1 116 116 GLU H H 1 8.121 0.00 . 1 . . . . . 116 GLU H . 50386 2 401 . 1 . 1 116 116 GLU N N 15 115.531 0.00 . 1 . . . . . 116 GLU N . 50386 2 402 . 1 . 1 117 117 SER H H 1 7.739 0.00 . 1 . . . . . 117 SER H . 50386 2 403 . 1 . 1 117 117 SER N N 15 115.060 0.00 . 1 . . . . . 117 SER N . 50386 2 404 . 1 . 1 118 118 LEU H H 1 7.043 0.00 . 1 . . . . . 118 LEU H . 50386 2 405 . 1 . 1 118 118 LEU HD11 H 1 0.885 0.00 . 1 . . . . . 118 LEU QD1 . 50386 2 406 . 1 . 1 118 118 LEU HD12 H 1 0.885 0.00 . 1 . . . . . 118 LEU QD1 . 50386 2 407 . 1 . 1 118 118 LEU HD13 H 1 0.885 0.00 . 1 . . . . . 118 LEU QD1 . 50386 2 408 . 1 . 1 118 118 LEU HD21 H 1 0.790 0.00 . 1 . . . . . 118 LEU QD2 . 50386 2 409 . 1 . 1 118 118 LEU HD22 H 1 0.790 0.00 . 1 . . . . . 118 LEU QD2 . 50386 2 410 . 1 . 1 118 118 LEU HD23 H 1 0.790 0.00 . 1 . . . . . 118 LEU QD2 . 50386 2 411 . 1 . 1 118 118 LEU CD1 C 13 25.792 0.00 . 1 . . . . . 118 LEU CD1 . 50386 2 412 . 1 . 1 118 118 LEU CD2 C 13 22.126 0.00 . 1 . . . . . 118 LEU CD2 . 50386 2 413 . 1 . 1 118 118 LEU N N 15 122.104 0.00 . 1 . . . . . 118 LEU N . 50386 2 414 . 1 . 1 122 122 TYR H H 1 8.188 0.00 . 1 . . . . . 122 TYR H . 50386 2 415 . 1 . 1 122 122 TYR N N 15 120.213 0.00 . 1 . . . . . 122 TYR N . 50386 2 416 . 1 . 1 123 123 LEU H H 1 8.021 0.00 . 1 . . . . . 123 LEU H . 50386 2 417 . 1 . 1 123 123 LEU HD11 H 1 0.973 0.00 . 1 . . . . . 123 LEU QD1 . 50386 2 418 . 1 . 1 123 123 LEU HD12 H 1 0.973 0.00 . 1 . . . . . 123 LEU QD1 . 50386 2 419 . 1 . 1 123 123 LEU HD13 H 1 0.973 0.00 . 1 . . . . . 123 LEU QD1 . 50386 2 420 . 1 . 1 123 123 LEU HD21 H 1 0.863 0.00 . 1 . . . . . 123 LEU QD2 . 50386 2 421 . 1 . 1 123 123 LEU HD22 H 1 0.863 0.00 . 1 . . . . . 123 LEU QD2 . 50386 2 422 . 1 . 1 123 123 LEU HD23 H 1 0.863 0.00 . 1 . . . . . 123 LEU QD2 . 50386 2 423 . 1 . 1 123 123 LEU CD1 C 13 26.271 0.00 . 1 . . . . . 123 LEU CD1 . 50386 2 424 . 1 . 1 123 123 LEU CD2 C 13 22.504 0.00 . 1 . . . . . 123 LEU CD2 . 50386 2 425 . 1 . 1 123 123 LEU N N 15 120.755 0.00 . 1 . . . . . 123 LEU N . 50386 2 426 . 1 . 1 124 124 LYS H H 1 7.975 0.00 . 1 . . . . . 124 LYS H . 50386 2 427 . 1 . 1 124 124 LYS N N 15 119.644 0.00 . 1 . . . . . 124 LYS N . 50386 2 428 . 1 . 1 125 125 GLU H H 1 7.525 0.00 . 1 . . . . . 125 GLU H . 50386 2 429 . 1 . 1 125 125 GLU N N 15 118.893 0.00 . 1 . . . . . 125 GLU N . 50386 2 430 . 1 . 1 126 126 ARG H H 1 7.832 0.00 . 1 . . . . . 126 ARG H . 50386 2 431 . 1 . 1 126 126 ARG N N 15 119.876 0.00 . 1 . . . . . 126 ARG N . 50386 2 432 . 1 . 1 127 127 ALA H H 1 7.944 0.00 . 1 . . . . . 127 ALA H . 50386 2 433 . 1 . 1 127 127 ALA N N 15 122.741 0.00 . 1 . . . . . 127 ALA N . 50386 2 434 . 1 . 1 128 128 VAL H H 1 7.272 0.00 . 1 . . . . . 128 VAL H . 50386 2 435 . 1 . 1 128 128 VAL HG11 H 1 1.053 0.00 . 1 . . . . . 128 VAL QG1 . 50386 2 436 . 1 . 1 128 128 VAL HG12 H 1 1.053 0.00 . 1 . . . . . 128 VAL QG1 . 50386 2 437 . 1 . 1 128 128 VAL HG13 H 1 1.053 0.00 . 1 . . . . . 128 VAL QG1 . 50386 2 438 . 1 . 1 128 128 VAL HG21 H 1 0.988 0.00 . 1 . . . . . 128 VAL QG2 . 50386 2 439 . 1 . 1 128 128 VAL HG22 H 1 0.988 0.00 . 1 . . . . . 128 VAL QG2 . 50386 2 440 . 1 . 1 128 128 VAL HG23 H 1 0.988 0.00 . 1 . . . . . 128 VAL QG2 . 50386 2 441 . 1 . 1 128 128 VAL CG1 C 13 22.187 0.00 . 1 . . . . . 128 VAL CG1 . 50386 2 442 . 1 . 1 128 128 VAL CG2 C 13 21.373 0.00 . 1 . . . . . 128 VAL CG2 . 50386 2 443 . 1 . 1 128 128 VAL N N 15 118.276 0.00 . 1 . . . . . 128 VAL N . 50386 2 444 . 1 . 1 129 129 ASP H H 1 7.445 0.00 . 1 . . . . . 129 ASP H . 50386 2 445 . 1 . 1 129 129 ASP N N 15 121.311 0.00 . 1 . . . . . 129 ASP N . 50386 2 446 . 1 . 1 130 130 LEU H H 1 8.498 0.00 . 1 . . . . . 130 LEU H . 50386 2 447 . 1 . 1 130 130 LEU N N 15 120.717 0.00 . 1 . . . . . 130 LEU N . 50386 2 448 . 1 . 1 131 131 ARG H H 1 7.920 0.00 . 1 . . . . . 131 ARG H . 50386 2 449 . 1 . 1 131 131 ARG N N 15 118.032 0.00 . 1 . . . . . 131 ARG N . 50386 2 450 . 1 . 1 132 132 ASP H H 1 7.943 0.00 . 1 . . . . . 132 ASP H . 50386 2 451 . 1 . 1 132 132 ASP N N 15 122.053 0.00 . 1 . . . . . 132 ASP N . 50386 2 452 . 1 . 1 133 133 VAL H H 1 8.385 0.00 . 1 . . . . . 133 VAL H . 50386 2 453 . 1 . 1 133 133 VAL HG11 H 1 1.024 0.00 . 1 . . . . . 133 VAL QG1 . 50386 2 454 . 1 . 1 133 133 VAL HG12 H 1 1.024 0.00 . 1 . . . . . 133 VAL QG1 . 50386 2 455 . 1 . 1 133 133 VAL HG13 H 1 1.024 0.00 . 1 . . . . . 133 VAL QG1 . 50386 2 456 . 1 . 1 133 133 VAL HG21 H 1 0.821 0.00 . 1 . . . . . 133 VAL QG2 . 50386 2 457 . 1 . 1 133 133 VAL HG22 H 1 0.821 0.00 . 1 . . . . . 133 VAL QG2 . 50386 2 458 . 1 . 1 133 133 VAL HG23 H 1 0.821 0.00 . 1 . . . . . 133 VAL QG2 . 50386 2 459 . 1 . 1 133 133 VAL CG1 C 13 23.436 0.00 . 1 . . . . . 133 VAL CG1 . 50386 2 460 . 1 . 1 133 133 VAL CG2 C 13 20.563 0.00 . 1 . . . . . 133 VAL CG2 . 50386 2 461 . 1 . 1 133 133 VAL N N 15 121.710 0.00 . 1 . . . . . 133 VAL N . 50386 2 462 . 1 . 1 134 134 GLY H H 1 8.973 0.00 . 1 . . . . . 134 GLY H . 50386 2 463 . 1 . 1 134 134 GLY N N 15 107.195 0.00 . 1 . . . . . 134 GLY N . 50386 2 464 . 1 . 1 135 135 ASN H H 1 8.230 0.00 . 1 . . . . . 135 ASN H . 50386 2 465 . 1 . 1 135 135 ASN N N 15 119.324 0.00 . 1 . . . . . 135 ASN N . 50386 2 466 . 1 . 1 136 136 ARG H H 1 7.855 0.00 . 1 . . . . . 136 ARG H . 50386 2 467 . 1 . 1 136 136 ARG N N 15 121.124 0.00 . 1 . . . . . 136 ARG N . 50386 2 468 . 1 . 1 137 137 ILE H H 1 8.327 0.00 . 1 . . . . . 137 ILE H . 50386 2 469 . 1 . 1 137 137 ILE HD11 H 1 0.888 0.00 . 1 . . . . . 137 ILE QD1 . 50386 2 470 . 1 . 1 137 137 ILE HD12 H 1 0.888 0.00 . 1 . . . . . 137 ILE QD1 . 50386 2 471 . 1 . 1 137 137 ILE HD13 H 1 0.888 0.00 . 1 . . . . . 137 ILE QD1 . 50386 2 472 . 1 . 1 137 137 ILE CD1 C 13 14.332 0.00 . 1 . . . . . 137 ILE CD1 . 50386 2 473 . 1 . 1 137 137 ILE N N 15 119.611 0.00 . 1 . . . . . 137 ILE N . 50386 2 474 . 1 . 1 138 138 ILE H H 1 8.282 0.00 . 1 . . . . . 138 ILE H . 50386 2 475 . 1 . 1 138 138 ILE HD11 H 1 0.826 0.00 . 1 . . . . . 138 ILE QD1 . 50386 2 476 . 1 . 1 138 138 ILE HD12 H 1 0.826 0.00 . 1 . . . . . 138 ILE QD1 . 50386 2 477 . 1 . 1 138 138 ILE HD13 H 1 0.826 0.00 . 1 . . . . . 138 ILE QD1 . 50386 2 478 . 1 . 1 138 138 ILE CD1 C 13 13.547 0.00 . 1 . . . . . 138 ILE CD1 . 50386 2 479 . 1 . 1 138 138 ILE N N 15 120.000 0.00 . 1 . . . . . 138 ILE N . 50386 2 480 . 1 . 1 139 139 GLU H H 1 8.677 0.00 . 1 . . . . . 139 GLU H . 50386 2 481 . 1 . 1 139 139 GLU N N 15 120.145 0.00 . 1 . . . . . 139 GLU N . 50386 2 482 . 1 . 1 140 140 ASN H H 1 7.926 0.00 . 1 . . . . . 140 ASN H . 50386 2 483 . 1 . 1 140 140 ASN N N 15 116.579 0.00 . 1 . . . . . 140 ASN N . 50386 2 484 . 1 . 1 141 141 LEU H H 1 8.705 0.00 . 1 . . . . . 141 LEU H . 50386 2 485 . 1 . 1 141 141 LEU HD11 H 1 0.842 0.00 . 1 . . . . . 141 LEU QD1 . 50386 2 486 . 1 . 1 141 141 LEU HD12 H 1 0.842 0.00 . 1 . . . . . 141 LEU QD1 . 50386 2 487 . 1 . 1 141 141 LEU HD13 H 1 0.842 0.00 . 1 . . . . . 141 LEU QD1 . 50386 2 488 . 1 . 1 141 141 LEU HD21 H 1 0.937 0.00 . 1 . . . . . 141 LEU QD2 . 50386 2 489 . 1 . 1 141 141 LEU HD22 H 1 0.937 0.00 . 1 . . . . . 141 LEU QD2 . 50386 2 490 . 1 . 1 141 141 LEU HD23 H 1 0.937 0.00 . 1 . . . . . 141 LEU QD2 . 50386 2 491 . 1 . 1 141 141 LEU CD1 C 13 25.861 0.00 . 1 . . . . . 141 LEU CD1 . 50386 2 492 . 1 . 1 141 141 LEU CD2 C 13 25.104 0.00 . 1 . . . . . 141 LEU CD2 . 50386 2 493 . 1 . 1 141 141 LEU N N 15 124.705 0.00 . 1 . . . . . 141 LEU N . 50386 2 494 . 1 . 1 142 142 LEU H H 1 8.180 0.00 . 1 . . . . . 142 LEU H . 50386 2 495 . 1 . 1 142 142 LEU N N 15 117.370 0.00 . 1 . . . . . 142 LEU N . 50386 2 496 . 1 . 1 143 143 GLY H H 1 7.929 0.00 . 1 . . . . . 143 GLY H . 50386 2 497 . 1 . 1 143 143 GLY N N 15 109.574 0.00 . 1 . . . . . 143 GLY N . 50386 2 498 . 1 . 1 144 144 VAL H H 1 7.755 0.00 . 1 . . . . . 144 VAL H . 50386 2 499 . 1 . 1 144 144 VAL HG11 H 1 0.793 0.00 . 1 . . . . . 144 VAL QG1 . 50386 2 500 . 1 . 1 144 144 VAL HG12 H 1 0.793 0.00 . 1 . . . . . 144 VAL QG1 . 50386 2 501 . 1 . 1 144 144 VAL HG13 H 1 0.793 0.00 . 1 . . . . . 144 VAL QG1 . 50386 2 502 . 1 . 1 144 144 VAL HG21 H 1 0.826 0.00 . 1 . . . . . 144 VAL QG2 . 50386 2 503 . 1 . 1 144 144 VAL HG22 H 1 0.826 0.00 . 1 . . . . . 144 VAL QG2 . 50386 2 504 . 1 . 1 144 144 VAL HG23 H 1 0.826 0.00 . 1 . . . . . 144 VAL QG2 . 50386 2 505 . 1 . 1 144 144 VAL CG1 C 13 20.856 0.00 . 1 . . . . . 144 VAL CG1 . 50386 2 506 . 1 . 1 144 144 VAL CG2 C 13 20.324 0.00 . 1 . . . . . 144 VAL CG2 . 50386 2 507 . 1 . 1 144 144 VAL N N 15 118.641 0.00 . 1 . . . . . 144 VAL N . 50386 2 508 . 1 . 1 145 145 LYS H H 1 8.227 0.00 . 1 . . . . . 145 LYS H . 50386 2 509 . 1 . 1 145 145 LYS N N 15 125.015 0.00 . 1 . . . . . 145 LYS N . 50386 2 510 . 1 . 1 146 146 SER H H 1 8.532 0.00 . 1 . . . . . 146 SER H . 50386 2 511 . 1 . 1 146 146 SER N N 15 120.733 0.00 . 1 . . . . . 146 SER N . 50386 2 512 . 1 . 1 147 147 VAL H H 1 8.317 0.00 . 1 . . . . . 147 VAL H . 50386 2 513 . 1 . 1 147 147 VAL HG11 H 1 1.080 0.00 . 1 . . . . . 147 VAL QG1 . 50386 2 514 . 1 . 1 147 147 VAL HG12 H 1 1.080 0.00 . 1 . . . . . 147 VAL QG1 . 50386 2 515 . 1 . 1 147 147 VAL HG13 H 1 1.080 0.00 . 1 . . . . . 147 VAL QG1 . 50386 2 516 . 1 . 1 147 147 VAL HG21 H 1 1.062 0.00 . 1 . . . . . 147 VAL QG2 . 50386 2 517 . 1 . 1 147 147 VAL HG22 H 1 1.062 0.00 . 1 . . . . . 147 VAL QG2 . 50386 2 518 . 1 . 1 147 147 VAL HG23 H 1 1.062 0.00 . 1 . . . . . 147 VAL QG2 . 50386 2 519 . 1 . 1 147 147 VAL CG1 C 13 21.281 0.00 . 1 . . . . . 147 VAL CG1 . 50386 2 520 . 1 . 1 147 147 VAL CG2 C 13 20.494 0.00 . 1 . . . . . 147 VAL CG2 . 50386 2 521 . 1 . 1 147 147 VAL N N 15 122.611 0.00 . 1 . . . . . 147 VAL N . 50386 2 522 . 1 . 1 148 148 ASN H H 1 8.643 0.00 . 1 . . . . . 148 ASN H . 50386 2 523 . 1 . 1 148 148 ASN N N 15 122.686 0.00 . 1 . . . . . 148 ASN N . 50386 2 524 . 1 . 1 149 149 LEU H H 1 8.666 0.00 . 1 . . . . . 149 LEU H . 50386 2 525 . 1 . 1 149 149 LEU HD11 H 1 0.332 0.00 . 1 . . . . . 149 LEU QD1 . 50386 2 526 . 1 . 1 149 149 LEU HD12 H 1 0.332 0.00 . 1 . . . . . 149 LEU QD1 . 50386 2 527 . 1 . 1 149 149 LEU HD13 H 1 0.332 0.00 . 1 . . . . . 149 LEU QD1 . 50386 2 528 . 1 . 1 149 149 LEU HD21 H 1 0.366 0.00 . 1 . . . . . 149 LEU QD2 . 50386 2 529 . 1 . 1 149 149 LEU HD22 H 1 0.366 0.00 . 1 . . . . . 149 LEU QD2 . 50386 2 530 . 1 . 1 149 149 LEU HD23 H 1 0.366 0.00 . 1 . . . . . 149 LEU QD2 . 50386 2 531 . 1 . 1 149 149 LEU CD1 C 13 25.423 0.00 . 1 . . . . . 149 LEU CD1 . 50386 2 532 . 1 . 1 149 149 LEU CD2 C 13 23.276 0.00 . 1 . . . . . 149 LEU CD2 . 50386 2 533 . 1 . 1 149 149 LEU N N 15 119.655 0.00 . 1 . . . . . 149 LEU N . 50386 2 534 . 1 . 1 150 150 SER H H 1 8.395 0.00 . 1 . . . . . 150 SER H . 50386 2 535 . 1 . 1 150 150 SER N N 15 115.655 0.00 . 1 . . . . . 150 SER N . 50386 2 536 . 1 . 1 151 151 ASP H H 1 7.737 0.00 . 1 . . . . . 151 ASP H . 50386 2 537 . 1 . 1 151 151 ASP N N 15 120.870 0.00 . 1 . . . . . 151 ASP N . 50386 2 538 . 1 . 1 152 152 LEU H H 1 6.297 0.00 . 1 . . . . . 152 LEU H . 50386 2 539 . 1 . 1 152 152 LEU HD11 H 1 0.477 0.00 . 1 . . . . . 152 LEU QD1 . 50386 2 540 . 1 . 1 152 152 LEU HD12 H 1 0.477 0.00 . 1 . . . . . 152 LEU QD1 . 50386 2 541 . 1 . 1 152 152 LEU HD13 H 1 0.477 0.00 . 1 . . . . . 152 LEU QD1 . 50386 2 542 . 1 . 1 152 152 LEU HD21 H 1 -0.025 0.00 . 1 . . . . . 152 LEU QD2 . 50386 2 543 . 1 . 1 152 152 LEU HD22 H 1 -0.025 0.00 . 1 . . . . . 152 LEU QD2 . 50386 2 544 . 1 . 1 152 152 LEU HD23 H 1 -0.025 0.00 . 1 . . . . . 152 LEU QD2 . 50386 2 545 . 1 . 1 152 152 LEU CD1 C 13 25.941 0.00 . 1 . . . . . 152 LEU CD1 . 50386 2 546 . 1 . 1 152 152 LEU CD2 C 13 21.105 0.00 . 1 . . . . . 152 LEU CD2 . 50386 2 547 . 1 . 1 152 152 LEU N N 15 118.312 0.00 . 1 . . . . . 152 LEU N . 50386 2 548 . 1 . 1 153 153 GLU H H 1 8.681 0.00 . 1 . . . . . 153 GLU H . 50386 2 549 . 1 . 1 153 153 GLU N N 15 120.401 0.00 . 1 . . . . . 153 GLU N . 50386 2 550 . 1 . 1 154 154 GLU H H 1 7.595 0.00 . 1 . . . . . 154 GLU H . 50386 2 551 . 1 . 1 154 154 GLU N N 15 118.298 0.00 . 1 . . . . . 154 GLU N . 50386 2 552 . 1 . 1 155 155 GLU H H 1 8.309 0.00 . 1 . . . . . 155 GLU H . 50386 2 553 . 1 . 1 155 155 GLU N N 15 119.391 0.00 . 1 . . . . . 155 GLU N . 50386 2 554 . 1 . 1 156 156 VAL H H 1 8.738 0.00 . 1 . . . . . 156 VAL H . 50386 2 555 . 1 . 1 156 156 VAL HG11 H 1 0.833 0.00 . 1 . . . . . 156 VAL QG1 . 50386 2 556 . 1 . 1 156 156 VAL HG12 H 1 0.833 0.00 . 1 . . . . . 156 VAL QG1 . 50386 2 557 . 1 . 1 156 156 VAL HG13 H 1 0.833 0.00 . 1 . . . . . 156 VAL QG1 . 50386 2 558 . 1 . 1 156 156 VAL HG21 H 1 0.649 0.00 . 1 . . . . . 156 VAL QG2 . 50386 2 559 . 1 . 1 156 156 VAL HG22 H 1 0.649 0.00 . 1 . . . . . 156 VAL QG2 . 50386 2 560 . 1 . 1 156 156 VAL HG23 H 1 0.649 0.00 . 1 . . . . . 156 VAL QG2 . 50386 2 561 . 1 . 1 156 156 VAL CG1 C 13 22.191 0.00 . 1 . . . . . 156 VAL CG1 . 50386 2 562 . 1 . 1 156 156 VAL CG2 C 13 17.547 0.00 . 1 . . . . . 156 VAL CG2 . 50386 2 563 . 1 . 1 156 156 VAL N N 15 115.952 0.00 . 1 . . . . . 156 VAL N . 50386 2 564 . 1 . 1 157 157 VAL H H 1 8.689 0.00 . 1 . . . . . 157 VAL H . 50386 2 565 . 1 . 1 157 157 VAL HG11 H 1 0.368 0.00 . 1 . . . . . 157 VAL QG1 . 50386 2 566 . 1 . 1 157 157 VAL HG12 H 1 0.368 0.00 . 1 . . . . . 157 VAL QG1 . 50386 2 567 . 1 . 1 157 157 VAL HG13 H 1 0.368 0.00 . 1 . . . . . 157 VAL QG1 . 50386 2 568 . 1 . 1 157 157 VAL HG21 H 1 0.423 0.00 . 1 . . . . . 157 VAL QG2 . 50386 2 569 . 1 . 1 157 157 VAL HG22 H 1 0.423 0.00 . 1 . . . . . 157 VAL QG2 . 50386 2 570 . 1 . 1 157 157 VAL HG23 H 1 0.423 0.00 . 1 . . . . . 157 VAL QG2 . 50386 2 571 . 1 . 1 157 157 VAL CG1 C 13 21.510 0.00 . 1 . . . . . 157 VAL CG1 . 50386 2 572 . 1 . 1 157 157 VAL CG2 C 13 21.019 0.00 . 1 . . . . . 157 VAL CG2 . 50386 2 573 . 1 . 1 157 157 VAL N N 15 121.321 0.00 . 1 . . . . . 157 VAL N . 50386 2 574 . 1 . 1 158 158 VAL H H 1 8.188 0.00 . 1 . . . . . 158 VAL H . 50386 2 575 . 1 . 1 158 158 VAL HG11 H 1 0.922 0.00 . 1 . . . . . 158 VAL QG1 . 50386 2 576 . 1 . 1 158 158 VAL HG12 H 1 0.922 0.00 . 1 . . . . . 158 VAL QG1 . 50386 2 577 . 1 . 1 158 158 VAL HG13 H 1 0.922 0.00 . 1 . . . . . 158 VAL QG1 . 50386 2 578 . 1 . 1 158 158 VAL HG21 H 1 0.947 0.00 . 1 . . . . . 158 VAL QG2 . 50386 2 579 . 1 . 1 158 158 VAL HG22 H 1 0.947 0.00 . 1 . . . . . 158 VAL QG2 . 50386 2 580 . 1 . 1 158 158 VAL HG23 H 1 0.947 0.00 . 1 . . . . . 158 VAL QG2 . 50386 2 581 . 1 . 1 158 158 VAL CG1 C 13 23.171 0.00 . 1 . . . . . 158 VAL CG1 . 50386 2 582 . 1 . 1 158 158 VAL CG2 C 13 21.146 0.00 . 1 . . . . . 158 VAL CG2 . 50386 2 583 . 1 . 1 158 158 VAL N N 15 128.370 0.00 . 1 . . . . . 158 VAL N . 50386 2 584 . 1 . 1 159 159 ILE H H 1 9.024 0.00 . 1 . . . . . 159 ILE H . 50386 2 585 . 1 . 1 159 159 ILE HD11 H 1 0.570 0.00 . 1 . . . . . 159 ILE QD1 . 50386 2 586 . 1 . 1 159 159 ILE HD12 H 1 0.570 0.00 . 1 . . . . . 159 ILE QD1 . 50386 2 587 . 1 . 1 159 159 ILE HD13 H 1 0.570 0.00 . 1 . . . . . 159 ILE QD1 . 50386 2 588 . 1 . 1 159 159 ILE CD1 C 13 11.261 0.00 . 1 . . . . . 159 ILE CD1 . 50386 2 589 . 1 . 1 159 159 ILE N N 15 129.797 0.00 . 1 . . . . . 159 ILE N . 50386 2 590 . 1 . 1 160 160 ALA H H 1 8.304 0.00 . 1 . . . . . 160 ALA H . 50386 2 591 . 1 . 1 160 160 ALA N N 15 126.498 0.00 . 1 . . . . . 160 ALA N . 50386 2 592 . 1 . 1 161 161 ARG H H 1 9.270 0.00 . 1 . . . . . 161 ARG H . 50386 2 593 . 1 . 1 161 161 ARG N N 15 123.158 0.00 . 1 . . . . . 161 ARG N . 50386 2 594 . 1 . 1 162 162 ASP H H 1 7.351 0.00 . 1 . . . . . 162 ASP H . 50386 2 595 . 1 . 1 162 162 ASP N N 15 110.564 0.00 . 1 . . . . . 162 ASP N . 50386 2 596 . 1 . 1 163 163 LEU H H 1 7.960 0.00 . 1 . . . . . 163 LEU H . 50386 2 597 . 1 . 1 163 163 LEU HD21 H 1 0.080 0.00 . 1 . . . . . 163 LEU QD2 . 50386 2 598 . 1 . 1 163 163 LEU HD22 H 1 0.080 0.00 . 1 . . . . . 163 LEU QD2 . 50386 2 599 . 1 . 1 163 163 LEU HD23 H 1 0.080 0.00 . 1 . . . . . 163 LEU QD2 . 50386 2 600 . 1 . 1 163 163 LEU CD2 C 13 25.194 0.00 . 1 . . . . . 163 LEU CD2 . 50386 2 601 . 1 . 1 163 163 LEU N N 15 120.968 0.00 . 1 . . . . . 163 LEU N . 50386 2 602 . 1 . 1 164 164 THR H H 1 9.390 0.00 . 1 . . . . . 164 THR H . 50386 2 603 . 1 . 1 164 164 THR N N 15 116.228 0.00 . 1 . . . . . 164 THR N . 50386 2 604 . 1 . 1 167 167 ASP H H 1 7.852 0.00 . 1 . . . . . 167 ASP H . 50386 2 605 . 1 . 1 167 167 ASP N N 15 122.080 0.00 . 1 . . . . . 167 ASP N . 50386 2 606 . 1 . 1 168 168 THR H H 1 7.763 0.00 . 1 . . . . . 168 THR H . 50386 2 607 . 1 . 1 168 168 THR N N 15 108.411 0.00 . 1 . . . . . 168 THR N . 50386 2 608 . 1 . 1 169 169 ALA H H 1 7.713 0.00 . 1 . . . . . 169 ALA H . 50386 2 609 . 1 . 1 169 169 ALA N N 15 123.510 0.00 . 1 . . . . . 169 ALA N . 50386 2 610 . 1 . 1 170 170 THR H H 1 7.400 0.00 . 1 . . . . . 170 THR H . 50386 2 611 . 1 . 1 170 170 THR N N 15 103.816 0.00 . 1 . . . . . 170 THR N . 50386 2 612 . 1 . 1 171 171 MET H H 1 7.132 0.00 . 1 . . . . . 171 MET H . 50386 2 613 . 1 . 1 171 171 MET N N 15 120.549 0.00 . 1 . . . . . 171 MET N . 50386 2 614 . 1 . 1 172 172 LYS H H 1 7.624 0.00 . 1 . . . . . 172 LYS H . 50386 2 615 . 1 . 1 172 172 LYS N N 15 125.401 0.00 . 1 . . . . . 172 LYS N . 50386 2 616 . 1 . 1 173 173 LYS H H 1 8.024 0.00 . 1 . . . . . 173 LYS H . 50386 2 617 . 1 . 1 173 173 LYS N N 15 127.874 0.00 . 1 . . . . . 173 LYS N . 50386 2 618 . 1 . 1 174 174 GLU H H 1 9.774 0.00 . 1 . . . . . 174 GLU H . 50386 2 619 . 1 . 1 174 174 GLU N N 15 118.564 0.00 . 1 . . . . . 174 GLU N . 50386 2 620 . 1 . 1 175 175 MET H H 1 7.587 0.00 . 1 . . . . . 175 MET H . 50386 2 621 . 1 . 1 175 175 MET N N 15 115.283 0.00 . 1 . . . . . 175 MET N . 50386 2 622 . 1 . 1 176 176 VAL H H 1 7.144 0.00 . 1 . . . . . 176 VAL H . 50386 2 623 . 1 . 1 176 176 VAL HG11 H 1 0.426 0.00 . 1 . . . . . 176 VAL QG1 . 50386 2 624 . 1 . 1 176 176 VAL HG12 H 1 0.426 0.00 . 1 . . . . . 176 VAL QG1 . 50386 2 625 . 1 . 1 176 176 VAL HG13 H 1 0.426 0.00 . 1 . . . . . 176 VAL QG1 . 50386 2 626 . 1 . 1 176 176 VAL HG21 H 1 0.695 0.00 . 1 . . . . . 176 VAL QG2 . 50386 2 627 . 1 . 1 176 176 VAL HG22 H 1 0.695 0.00 . 1 . . . . . 176 VAL QG2 . 50386 2 628 . 1 . 1 176 176 VAL HG23 H 1 0.695 0.00 . 1 . . . . . 176 VAL QG2 . 50386 2 629 . 1 . 1 176 176 VAL CG1 C 13 21.591 0.00 . 1 . . . . . 176 VAL CG1 . 50386 2 630 . 1 . 1 176 176 VAL CG2 C 13 20.407 0.00 . 1 . . . . . 176 VAL CG2 . 50386 2 631 . 1 . 1 176 176 VAL N N 15 118.819 0.00 . 1 . . . . . 176 VAL N . 50386 2 632 . 1 . 1 177 177 LEU H H 1 8.970 0.00 . 1 . . . . . 177 LEU H . 50386 2 633 . 1 . 1 177 177 LEU HD11 H 1 0.711 0.00 . 1 . . . . . 177 LEU QD1 . 50386 2 634 . 1 . 1 177 177 LEU HD12 H 1 0.711 0.00 . 1 . . . . . 177 LEU QD1 . 50386 2 635 . 1 . 1 177 177 LEU HD13 H 1 0.711 0.00 . 1 . . . . . 177 LEU QD1 . 50386 2 636 . 1 . 1 177 177 LEU HD21 H 1 0.760 0.00 . 1 . . . . . 177 LEU QD2 . 50386 2 637 . 1 . 1 177 177 LEU HD22 H 1 0.760 0.00 . 1 . . . . . 177 LEU QD2 . 50386 2 638 . 1 . 1 177 177 LEU HD23 H 1 0.760 0.00 . 1 . . . . . 177 LEU QD2 . 50386 2 639 . 1 . 1 177 177 LEU CD1 C 13 25.864 0.00 . 1 . . . . . 177 LEU CD1 . 50386 2 640 . 1 . 1 177 177 LEU CD2 C 13 21.150 0.00 . 1 . . . . . 177 LEU CD2 . 50386 2 641 . 1 . 1 177 177 LEU N N 15 124.883 0.00 . 1 . . . . . 177 LEU N . 50386 2 642 . 1 . 1 178 178 GLY H H 1 7.013 0.00 . 1 . . . . . 178 GLY H . 50386 2 643 . 1 . 1 178 178 GLY N N 15 99.917 0.00 . 1 . . . . . 178 GLY N . 50386 2 644 . 1 . 1 179 179 PHE H H 1 8.145 0.00 . 1 . . . . . 179 PHE H . 50386 2 645 . 1 . 1 179 179 PHE N N 15 115.528 0.00 . 1 . . . . . 179 PHE N . 50386 2 646 . 1 . 1 180 180 ALA H H 1 8.757 0.00 . 1 . . . . . 180 ALA H . 50386 2 647 . 1 . 1 180 180 ALA N N 15 123.074 0.00 . 1 . . . . . 180 ALA N . 50386 2 648 . 1 . 1 181 181 THR H H 1 8.289 0.00 . 1 . . . . . 181 THR H . 50386 2 649 . 1 . 1 181 181 THR N N 15 109.340 0.00 . 1 . . . . . 181 THR N . 50386 2 650 . 1 . 1 182 182 ASP H H 1 7.830 0.00 . 1 . . . . . 182 ASP H . 50386 2 651 . 1 . 1 182 182 ASP N N 15 120.222 0.00 . 1 . . . . . 182 ASP N . 50386 2 652 . 1 . 1 183 183 VAL H H 1 8.033 0.00 . 1 . . . . . 183 VAL H . 50386 2 653 . 1 . 1 183 183 VAL HG11 H 1 0.931 0.00 . 1 . . . . . 183 VAL QG1 . 50386 2 654 . 1 . 1 183 183 VAL HG12 H 1 0.931 0.00 . 1 . . . . . 183 VAL QG1 . 50386 2 655 . 1 . 1 183 183 VAL HG13 H 1 0.931 0.00 . 1 . . . . . 183 VAL QG1 . 50386 2 656 . 1 . 1 183 183 VAL HG21 H 1 0.943 0.00 . 1 . . . . . 183 VAL QG2 . 50386 2 657 . 1 . 1 183 183 VAL HG22 H 1 0.943 0.00 . 1 . . . . . 183 VAL QG2 . 50386 2 658 . 1 . 1 183 183 VAL HG23 H 1 0.943 0.00 . 1 . . . . . 183 VAL QG2 . 50386 2 659 . 1 . 1 183 183 VAL CG1 C 13 21.142 0.00 . 1 . . . . . 183 VAL CG1 . 50386 2 660 . 1 . 1 183 183 VAL CG2 C 13 18.363 0.00 . 1 . . . . . 183 VAL CG2 . 50386 2 661 . 1 . 1 183 183 VAL N N 15 113.295 0.00 . 1 . . . . . 183 VAL N . 50386 2 662 . 1 . 1 184 184 GLY H H 1 8.444 0.00 . 1 . . . . . 184 GLY H . 50386 2 663 . 1 . 1 184 184 GLY N N 15 112.080 0.00 . 1 . . . . . 184 GLY N . 50386 2 664 . 1 . 1 185 185 GLY H H 1 7.802 0.00 . 1 . . . . . 185 GLY H . 50386 2 665 . 1 . 1 185 185 GLY N N 15 105.083 0.00 . 1 . . . . . 185 GLY N . 50386 2 666 . 1 . 1 188 188 SER H H 1 7.313 0.00 . 1 . . . . . 188 SER H . 50386 2 667 . 1 . 1 188 188 SER N N 15 117.577 0.00 . 1 . . . . . 188 SER N . 50386 2 668 . 1 . 1 190 190 THR H H 1 8.479 0.00 . 1 . . . . . 190 THR H . 50386 2 669 . 1 . 1 190 190 THR N N 15 116.421 0.00 . 1 . . . . . 190 THR N . 50386 2 670 . 1 . 1 191 191 ALA H H 1 7.508 0.00 . 1 . . . . . 191 ALA H . 50386 2 671 . 1 . 1 191 191 ALA N N 15 124.205 0.00 . 1 . . . . . 191 ALA N . 50386 2 672 . 1 . 1 192 192 ILE H H 1 8.069 0.00 . 1 . . . . . 192 ILE H . 50386 2 673 . 1 . 1 192 192 ILE HD11 H 1 0.693 0.00 . 1 . . . . . 192 ILE QD1 . 50386 2 674 . 1 . 1 192 192 ILE HD12 H 1 0.693 0.00 . 1 . . . . . 192 ILE QD1 . 50386 2 675 . 1 . 1 192 192 ILE HD13 H 1 0.693 0.00 . 1 . . . . . 192 ILE QD1 . 50386 2 676 . 1 . 1 192 192 ILE CD1 C 13 13.248 0.00 . 1 . . . . . 192 ILE CD1 . 50386 2 677 . 1 . 1 192 192 ILE N N 15 117.952 0.00 . 1 . . . . . 192 ILE N . 50386 2 678 . 1 . 1 193 193 MET H H 1 8.237 0.00 . 1 . . . . . 193 MET H . 50386 2 679 . 1 . 1 193 193 MET N N 15 120.797 0.00 . 1 . . . . . 193 MET N . 50386 2 680 . 1 . 1 194 194 ALA H H 1 8.540 0.00 . 1 . . . . . 194 ALA H . 50386 2 681 . 1 . 1 194 194 ALA N N 15 122.766 0.00 . 1 . . . . . 194 ALA N . 50386 2 682 . 1 . 1 195 195 ARG H H 1 8.273 0.00 . 1 . . . . . 195 ARG H . 50386 2 683 . 1 . 1 195 195 ARG N N 15 117.073 0.00 . 1 . . . . . 195 ARG N . 50386 2 684 . 1 . 1 196 196 SER H H 1 7.963 0.00 . 1 . . . . . 196 SER H . 50386 2 685 . 1 . 1 196 196 SER N N 15 116.850 0.00 . 1 . . . . . 196 SER N . 50386 2 686 . 1 . 1 197 197 LEU H H 1 7.762 0.00 . 1 . . . . . 197 LEU H . 50386 2 687 . 1 . 1 197 197 LEU HD11 H 1 0.804 0.00 . 1 . . . . . 197 LEU QD1 . 50386 2 688 . 1 . 1 197 197 LEU HD12 H 1 0.804 0.00 . 1 . . . . . 197 LEU QD1 . 50386 2 689 . 1 . 1 197 197 LEU HD13 H 1 0.804 0.00 . 1 . . . . . 197 LEU QD1 . 50386 2 690 . 1 . 1 197 197 LEU HD21 H 1 0.842 0.00 . 1 . . . . . 197 LEU QD2 . 50386 2 691 . 1 . 1 197 197 LEU HD22 H 1 0.842 0.00 . 1 . . . . . 197 LEU QD2 . 50386 2 692 . 1 . 1 197 197 LEU HD23 H 1 0.842 0.00 . 1 . . . . . 197 LEU QD2 . 50386 2 693 . 1 . 1 197 197 LEU CD1 C 13 25.988 0.00 . 1 . . . . . 197 LEU CD1 . 50386 2 694 . 1 . 1 197 197 LEU CD2 C 13 22.326 0.00 . 1 . . . . . 197 LEU CD2 . 50386 2 695 . 1 . 1 197 197 LEU N N 15 120.854 0.00 . 1 . . . . . 197 LEU N . 50386 2 696 . 1 . 1 198 198 GLU H H 1 7.824 0.00 . 1 . . . . . 198 GLU H . 50386 2 697 . 1 . 1 198 198 GLU N N 15 116.598 0.00 . 1 . . . . . 198 GLU N . 50386 2 698 . 1 . 1 199 199 ILE H H 1 7.941 0.00 . 1 . . . . . 199 ILE H . 50386 2 699 . 1 . 1 199 199 ILE HD11 H 1 0.422 0.00 . 1 . . . . . 199 ILE QD1 . 50386 2 700 . 1 . 1 199 199 ILE HD12 H 1 0.422 0.00 . 1 . . . . . 199 ILE QD1 . 50386 2 701 . 1 . 1 199 199 ILE HD13 H 1 0.422 0.00 . 1 . . . . . 199 ILE QD1 . 50386 2 702 . 1 . 1 199 199 ILE CD1 C 13 13.746 0.00 . 1 . . . . . 199 ILE CD1 . 50386 2 703 . 1 . 1 199 199 ILE N N 15 116.965 0.00 . 1 . . . . . 199 ILE N . 50386 2 704 . 1 . 1 201 201 ALA H H 1 8.255 0.00 . 1 . . . . . 201 ALA H . 50386 2 705 . 1 . 1 201 201 ALA N N 15 118.728 0.00 . 1 . . . . . 201 ALA N . 50386 2 706 . 1 . 1 202 202 VAL H H 1 7.959 0.00 . 1 . . . . . 202 VAL H . 50386 2 707 . 1 . 1 202 202 VAL HG11 H 1 0.843 0.00 . 1 . . . . . 202 VAL QG1 . 50386 2 708 . 1 . 1 202 202 VAL HG12 H 1 0.843 0.00 . 1 . . . . . 202 VAL QG1 . 50386 2 709 . 1 . 1 202 202 VAL HG13 H 1 0.843 0.00 . 1 . . . . . 202 VAL QG1 . 50386 2 710 . 1 . 1 202 202 VAL HG21 H 1 0.625 0.00 . 1 . . . . . 202 VAL QG2 . 50386 2 711 . 1 . 1 202 202 VAL HG22 H 1 0.625 0.00 . 1 . . . . . 202 VAL QG2 . 50386 2 712 . 1 . 1 202 202 VAL HG23 H 1 0.625 0.00 . 1 . . . . . 202 VAL QG2 . 50386 2 713 . 1 . 1 202 202 VAL CG1 C 13 23.084 0.00 . 1 . . . . . 202 VAL CG1 . 50386 2 714 . 1 . 1 202 202 VAL CG2 C 13 21.239 0.00 . 1 . . . . . 202 VAL CG2 . 50386 2 715 . 1 . 1 202 202 VAL N N 15 123.680 0.00 . 1 . . . . . 202 VAL N . 50386 2 716 . 1 . 1 203 203 VAL H H 1 8.310 0.00 . 1 . . . . . 203 VAL H . 50386 2 717 . 1 . 1 203 203 VAL HG11 H 1 0.631 0.00 . 1 . . . . . 203 VAL QG1 . 50386 2 718 . 1 . 1 203 203 VAL HG12 H 1 0.631 0.00 . 1 . . . . . 203 VAL QG1 . 50386 2 719 . 1 . 1 203 203 VAL HG13 H 1 0.631 0.00 . 1 . . . . . 203 VAL QG1 . 50386 2 720 . 1 . 1 203 203 VAL HG21 H 1 0.433 0.00 . 1 . . . . . 203 VAL QG2 . 50386 2 721 . 1 . 1 203 203 VAL HG22 H 1 0.433 0.00 . 1 . . . . . 203 VAL QG2 . 50386 2 722 . 1 . 1 203 203 VAL HG23 H 1 0.433 0.00 . 1 . . . . . 203 VAL QG2 . 50386 2 723 . 1 . 1 203 203 VAL CG1 C 13 19.628 0.00 . 1 . . . . . 203 VAL CG1 . 50386 2 724 . 1 . 1 203 203 VAL CG2 C 13 17.531 0.00 . 1 . . . . . 203 VAL CG2 . 50386 2 725 . 1 . 1 203 203 VAL N N 15 116.592 0.00 . 1 . . . . . 203 VAL N . 50386 2 726 . 1 . 1 204 204 GLY H H 1 6.869 0.00 . 1 . . . . . 204 GLY H . 50386 2 727 . 1 . 1 204 204 GLY N N 15 106.162 0.00 . 1 . . . . . 204 GLY N . 50386 2 728 . 1 . 1 205 205 LEU H H 1 8.143 0.00 . 1 . . . . . 205 LEU H . 50386 2 729 . 1 . 1 205 205 LEU HD11 H 1 0.755 0.00 . 1 . . . . . 205 LEU QD1 . 50386 2 730 . 1 . 1 205 205 LEU HD12 H 1 0.755 0.00 . 1 . . . . . 205 LEU QD1 . 50386 2 731 . 1 . 1 205 205 LEU HD13 H 1 0.755 0.00 . 1 . . . . . 205 LEU QD1 . 50386 2 732 . 1 . 1 205 205 LEU HD21 H 1 0.536 0.00 . 1 . . . . . 205 LEU QD2 . 50386 2 733 . 1 . 1 205 205 LEU HD22 H 1 0.536 0.00 . 1 . . . . . 205 LEU QD2 . 50386 2 734 . 1 . 1 205 205 LEU HD23 H 1 0.536 0.00 . 1 . . . . . 205 LEU QD2 . 50386 2 735 . 1 . 1 205 205 LEU CD1 C 13 27.639 0.00 . 1 . . . . . 205 LEU CD1 . 50386 2 736 . 1 . 1 205 205 LEU CD2 C 13 24.513 0.00 . 1 . . . . . 205 LEU CD2 . 50386 2 737 . 1 . 1 205 205 LEU N N 15 117.860 0.00 . 1 . . . . . 205 LEU N . 50386 2 738 . 1 . 1 206 206 GLY H H 1 10.191 0.00 . 1 . . . . . 206 GLY H . 50386 2 739 . 1 . 1 206 206 GLY N N 15 113.497 0.00 . 1 . . . . . 206 GLY N . 50386 2 740 . 1 . 1 207 207 ASN H H 1 8.086 0.00 . 1 . . . . . 207 ASN H . 50386 2 741 . 1 . 1 207 207 ASN N N 15 121.165 0.00 . 1 . . . . . 207 ASN N . 50386 2 742 . 1 . 1 208 208 VAL H H 1 7.743 0.00 . 1 . . . . . 208 VAL H . 50386 2 743 . 1 . 1 208 208 VAL HG11 H 1 0.733 0.00 . 1 . . . . . 208 VAL QG1 . 50386 2 744 . 1 . 1 208 208 VAL HG12 H 1 0.733 0.00 . 1 . . . . . 208 VAL QG1 . 50386 2 745 . 1 . 1 208 208 VAL HG13 H 1 0.733 0.00 . 1 . . . . . 208 VAL QG1 . 50386 2 746 . 1 . 1 208 208 VAL HG21 H 1 0.800 0.00 . 1 . . . . . 208 VAL QG2 . 50386 2 747 . 1 . 1 208 208 VAL HG22 H 1 0.800 0.00 . 1 . . . . . 208 VAL QG2 . 50386 2 748 . 1 . 1 208 208 VAL HG23 H 1 0.800 0.00 . 1 . . . . . 208 VAL QG2 . 50386 2 749 . 1 . 1 208 208 VAL CG1 C 13 22.489 0.00 . 1 . . . . . 208 VAL CG1 . 50386 2 750 . 1 . 1 208 208 VAL CG2 C 13 18.638 0.00 . 1 . . . . . 208 VAL CG2 . 50386 2 751 . 1 . 1 208 208 VAL N N 15 124.152 0.00 . 1 . . . . . 208 VAL N . 50386 2 752 . 1 . 1 209 209 THR H H 1 9.270 0.00 . 1 . . . . . 209 THR H . 50386 2 753 . 1 . 1 209 209 THR N N 15 112.902 0.00 . 1 . . . . . 209 THR N . 50386 2 754 . 1 . 1 210 210 SER H H 1 7.256 0.00 . 1 . . . . . 210 SER H . 50386 2 755 . 1 . 1 210 210 SER N N 15 113.690 0.00 . 1 . . . . . 210 SER N . 50386 2 756 . 1 . 1 211 211 GLN H H 1 7.493 0.00 . 1 . . . . . 211 GLN H . 50386 2 757 . 1 . 1 211 211 GLN N N 15 119.122 0.00 . 1 . . . . . 211 GLN N . 50386 2 758 . 1 . 1 212 212 VAL H H 1 7.112 0.00 . 1 . . . . . 212 VAL H . 50386 2 759 . 1 . 1 212 212 VAL HG11 H 1 0.738 0.00 . 1 . . . . . 212 VAL QG1 . 50386 2 760 . 1 . 1 212 212 VAL HG12 H 1 0.738 0.00 . 1 . . . . . 212 VAL QG1 . 50386 2 761 . 1 . 1 212 212 VAL HG13 H 1 0.738 0.00 . 1 . . . . . 212 VAL QG1 . 50386 2 762 . 1 . 1 212 212 VAL CG1 C 13 22.916 0.00 . 1 . . . . . 212 VAL CG1 . 50386 2 763 . 1 . 1 212 212 VAL N N 15 118.545 0.00 . 1 . . . . . 212 VAL N . 50386 2 764 . 1 . 1 213 213 LYS H H 1 8.753 0.00 . 1 . . . . . 213 LYS H . 50386 2 765 . 1 . 1 213 213 LYS N N 15 125.611 0.00 . 1 . . . . . 213 LYS N . 50386 2 766 . 1 . 1 214 214 ALA H H 1 8.446 0.00 . 1 . . . . . 214 ALA H . 50386 2 767 . 1 . 1 214 214 ALA N N 15 123.213 0.00 . 1 . . . . . 214 ALA N . 50386 2 768 . 1 . 1 215 215 GLY H H 1 8.852 0.00 . 1 . . . . . 215 GLY H . 50386 2 769 . 1 . 1 215 215 GLY N N 15 111.776 0.00 . 1 . . . . . 215 GLY N . 50386 2 770 . 1 . 1 216 216 ASP H H 1 8.044 0.00 . 1 . . . . . 216 ASP H . 50386 2 771 . 1 . 1 216 216 ASP N N 15 122.462 0.00 . 1 . . . . . 216 ASP N . 50386 2 772 . 1 . 1 217 217 LEU H H 1 8.072 0.00 . 1 . . . . . 217 LEU H . 50386 2 773 . 1 . 1 217 217 LEU HD11 H 1 0.773 0.00 . 1 . . . . . 217 LEU QD1 . 50386 2 774 . 1 . 1 217 217 LEU HD12 H 1 0.773 0.00 . 1 . . . . . 217 LEU QD1 . 50386 2 775 . 1 . 1 217 217 LEU HD13 H 1 0.773 0.00 . 1 . . . . . 217 LEU QD1 . 50386 2 776 . 1 . 1 217 217 LEU HD21 H 1 0.718 0.00 . 1 . . . . . 217 LEU QD2 . 50386 2 777 . 1 . 1 217 217 LEU HD22 H 1 0.718 0.00 . 1 . . . . . 217 LEU QD2 . 50386 2 778 . 1 . 1 217 217 LEU HD23 H 1 0.718 0.00 . 1 . . . . . 217 LEU QD2 . 50386 2 779 . 1 . 1 217 217 LEU CD1 C 13 25.609 0.00 . 1 . . . . . 217 LEU CD1 . 50386 2 780 . 1 . 1 217 217 LEU CD2 C 13 22.995 0.00 . 1 . . . . . 217 LEU CD2 . 50386 2 781 . 1 . 1 217 217 LEU N N 15 123.465 0.00 . 1 . . . . . 217 LEU N . 50386 2 782 . 1 . 1 218 218 VAL H H 1 9.060 0.00 . 1 . . . . . 218 VAL H . 50386 2 783 . 1 . 1 218 218 VAL HG11 H 1 0.685 0.00 . 1 . . . . . 218 VAL QG1 . 50386 2 784 . 1 . 1 218 218 VAL HG12 H 1 0.685 0.00 . 1 . . . . . 218 VAL QG1 . 50386 2 785 . 1 . 1 218 218 VAL HG13 H 1 0.685 0.00 . 1 . . . . . 218 VAL QG1 . 50386 2 786 . 1 . 1 218 218 VAL HG21 H 1 0.685 0.00 . 1 . . . . . 218 VAL QG2 . 50386 2 787 . 1 . 1 218 218 VAL HG22 H 1 0.685 0.00 . 1 . . . . . 218 VAL QG2 . 50386 2 788 . 1 . 1 218 218 VAL HG23 H 1 0.685 0.00 . 1 . . . . . 218 VAL QG2 . 50386 2 789 . 1 . 1 218 218 VAL CG1 C 13 22.684 0.00 . 1 . . . . . 218 VAL CG1 . 50386 2 790 . 1 . 1 218 218 VAL CG2 C 13 21.017 0.00 . 1 . . . . . 218 VAL CG2 . 50386 2 791 . 1 . 1 218 218 VAL N N 15 122.853 0.00 . 1 . . . . . 218 VAL N . 50386 2 792 . 1 . 1 219 219 ILE H H 1 8.474 0.00 . 1 . . . . . 219 ILE H . 50386 2 793 . 1 . 1 219 219 ILE HD11 H 1 0.467 0.00 . 1 . . . . . 219 ILE QD1 . 50386 2 794 . 1 . 1 219 219 ILE HD12 H 1 0.467 0.00 . 1 . . . . . 219 ILE QD1 . 50386 2 795 . 1 . 1 219 219 ILE HD13 H 1 0.467 0.00 . 1 . . . . . 219 ILE QD1 . 50386 2 796 . 1 . 1 219 219 ILE CD1 C 13 14.858 0.00 . 1 . . . . . 219 ILE CD1 . 50386 2 797 . 1 . 1 219 219 ILE N N 15 121.246 0.00 . 1 . . . . . 219 ILE N . 50386 2 798 . 1 . 1 220 220 VAL H H 1 9.194 0.00 . 1 . . . . . 220 VAL H . 50386 2 799 . 1 . 1 220 220 VAL HG11 H 1 0.602 0.00 . 1 . . . . . 220 VAL QG1 . 50386 2 800 . 1 . 1 220 220 VAL HG12 H 1 0.602 0.00 . 1 . . . . . 220 VAL QG1 . 50386 2 801 . 1 . 1 220 220 VAL HG13 H 1 0.602 0.00 . 1 . . . . . 220 VAL QG1 . 50386 2 802 . 1 . 1 220 220 VAL HG21 H 1 0.685 0.00 . 1 . . . . . 220 VAL QG2 . 50386 2 803 . 1 . 1 220 220 VAL HG22 H 1 0.685 0.00 . 1 . . . . . 220 VAL QG2 . 50386 2 804 . 1 . 1 220 220 VAL HG23 H 1 0.685 0.00 . 1 . . . . . 220 VAL QG2 . 50386 2 805 . 1 . 1 220 220 VAL CG1 C 13 21.851 0.00 . 1 . . . . . 220 VAL CG1 . 50386 2 806 . 1 . 1 220 220 VAL CG2 C 13 21.159 0.00 . 1 . . . . . 220 VAL CG2 . 50386 2 807 . 1 . 1 220 220 VAL N N 15 126.475 0.00 . 1 . . . . . 220 VAL N . 50386 2 808 . 1 . 1 221 221 ASP H H 1 8.914 0.00 . 1 . . . . . 221 ASP H . 50386 2 809 . 1 . 1 221 221 ASP N N 15 126.220 0.00 . 1 . . . . . 221 ASP N . 50386 2 810 . 1 . 1 222 222 GLY H H 1 9.094 0.00 . 1 . . . . . 222 GLY H . 50386 2 811 . 1 . 1 222 222 GLY N N 15 112.620 0.00 . 1 . . . . . 222 GLY N . 50386 2 812 . 1 . 1 223 223 LEU H H 1 8.844 0.00 . 1 . . . . . 223 LEU H . 50386 2 813 . 1 . 1 223 223 LEU HD11 H 1 0.600 0.00 . 1 . . . . . 223 LEU QD1 . 50386 2 814 . 1 . 1 223 223 LEU HD12 H 1 0.600 0.00 . 1 . . . . . 223 LEU QD1 . 50386 2 815 . 1 . 1 223 223 LEU HD13 H 1 0.600 0.00 . 1 . . . . . 223 LEU QD1 . 50386 2 816 . 1 . 1 223 223 LEU HD21 H 1 0.682 0.00 . 1 . . . . . 223 LEU QD2 . 50386 2 817 . 1 . 1 223 223 LEU HD22 H 1 0.682 0.00 . 1 . . . . . 223 LEU QD2 . 50386 2 818 . 1 . 1 223 223 LEU HD23 H 1 0.682 0.00 . 1 . . . . . 223 LEU QD2 . 50386 2 819 . 1 . 1 223 223 LEU CD1 C 13 24.516 0.00 . 1 . . . . . 223 LEU CD1 . 50386 2 820 . 1 . 1 223 223 LEU CD2 C 13 23.248 0.00 . 1 . . . . . 223 LEU CD2 . 50386 2 821 . 1 . 1 223 223 LEU N N 15 121.007 0.00 . 1 . . . . . 223 LEU N . 50386 2 822 . 1 . 1 224 224 GLU H H 1 8.136 0.00 . 1 . . . . . 224 GLU H . 50386 2 823 . 1 . 1 224 224 GLU N N 15 117.271 0.00 . 1 . . . . . 224 GLU N . 50386 2 824 . 1 . 1 225 225 GLY H H 1 8.174 0.00 . 1 . . . . . 225 GLY H . 50386 2 825 . 1 . 1 225 225 GLY N N 15 109.224 0.00 . 1 . . . . . 225 GLY N . 50386 2 826 . 1 . 1 226 226 ILE H H 1 7.850 0.00 . 1 . . . . . 226 ILE H . 50386 2 827 . 1 . 1 226 226 ILE HD11 H 1 0.799 0.00 . 1 . . . . . 226 ILE QD1 . 50386 2 828 . 1 . 1 226 226 ILE HD12 H 1 0.799 0.00 . 1 . . . . . 226 ILE QD1 . 50386 2 829 . 1 . 1 226 226 ILE HD13 H 1 0.799 0.00 . 1 . . . . . 226 ILE QD1 . 50386 2 830 . 1 . 1 226 226 ILE CD1 C 13 13.645 0.00 . 1 . . . . . 226 ILE CD1 . 50386 2 831 . 1 . 1 226 226 ILE N N 15 116.096 0.00 . 1 . . . . . 226 ILE N . 50386 2 832 . 1 . 1 227 227 VAL H H 1 8.682 0.00 . 1 . . . . . 227 VAL H . 50386 2 833 . 1 . 1 227 227 VAL HG11 H 1 0.802 0.00 . 1 . . . . . 227 VAL QG1 . 50386 2 834 . 1 . 1 227 227 VAL HG12 H 1 0.802 0.00 . 1 . . . . . 227 VAL QG1 . 50386 2 835 . 1 . 1 227 227 VAL HG13 H 1 0.802 0.00 . 1 . . . . . 227 VAL QG1 . 50386 2 836 . 1 . 1 227 227 VAL HG21 H 1 0.589 0.00 . 1 . . . . . 227 VAL QG2 . 50386 2 837 . 1 . 1 227 227 VAL HG22 H 1 0.589 0.00 . 1 . . . . . 227 VAL QG2 . 50386 2 838 . 1 . 1 227 227 VAL HG23 H 1 0.589 0.00 . 1 . . . . . 227 VAL QG2 . 50386 2 839 . 1 . 1 227 227 VAL CG1 C 13 23.425 0.00 . 1 . . . . . 227 VAL CG1 . 50386 2 840 . 1 . 1 227 227 VAL CG2 C 13 20.219 0.00 . 1 . . . . . 227 VAL CG2 . 50386 2 841 . 1 . 1 227 227 VAL N N 15 122.997 0.00 . 1 . . . . . 227 VAL N . 50386 2 842 . 1 . 1 228 228 ILE H H 1 8.745 0.00 . 1 . . . . . 228 ILE H . 50386 2 843 . 1 . 1 228 228 ILE HD11 H 1 0.588 0.00 . 1 . . . . . 228 ILE QD1 . 50386 2 844 . 1 . 1 228 228 ILE HD12 H 1 0.588 0.00 . 1 . . . . . 228 ILE QD1 . 50386 2 845 . 1 . 1 228 228 ILE HD13 H 1 0.588 0.00 . 1 . . . . . 228 ILE QD1 . 50386 2 846 . 1 . 1 228 228 ILE CD1 C 13 14.031 0.00 . 1 . . . . . 228 ILE CD1 . 50386 2 847 . 1 . 1 228 228 ILE N N 15 126.408 0.00 . 1 . . . . . 228 ILE N . 50386 2 848 . 1 . 1 229 229 VAL H H 1 8.675 0.00 . 1 . . . . . 229 VAL H . 50386 2 849 . 1 . 1 229 229 VAL HG11 H 1 0.943 0.00 . 1 . . . . . 229 VAL QG1 . 50386 2 850 . 1 . 1 229 229 VAL HG12 H 1 0.943 0.00 . 1 . . . . . 229 VAL QG1 . 50386 2 851 . 1 . 1 229 229 VAL HG13 H 1 0.943 0.00 . 1 . . . . . 229 VAL QG1 . 50386 2 852 . 1 . 1 229 229 VAL HG21 H 1 0.712 0.00 . 1 . . . . . 229 VAL QG2 . 50386 2 853 . 1 . 1 229 229 VAL HG22 H 1 0.712 0.00 . 1 . . . . . 229 VAL QG2 . 50386 2 854 . 1 . 1 229 229 VAL HG23 H 1 0.712 0.00 . 1 . . . . . 229 VAL QG2 . 50386 2 855 . 1 . 1 229 229 VAL CG1 C 13 21.512 0.00 . 1 . . . . . 229 VAL CG1 . 50386 2 856 . 1 . 1 229 229 VAL CG2 C 13 21.590 0.00 . 1 . . . . . 229 VAL CG2 . 50386 2 857 . 1 . 1 229 229 VAL N N 15 128.304 0.00 . 1 . . . . . 229 VAL N . 50386 2 858 . 1 . 1 230 230 ASN H H 1 9.695 0.00 . 1 . . . . . 230 ASN H . 50386 2 859 . 1 . 1 230 230 ASN N N 15 123.621 0.00 . 1 . . . . . 230 ASN N . 50386 2 860 . 1 . 1 232 232 ASP H H 1 8.076 0.00 . 1 . . . . . 232 ASP H . 50386 2 861 . 1 . 1 232 232 ASP N N 15 118.774 0.00 . 1 . . . . . 232 ASP N . 50386 2 862 . 1 . 1 233 233 GLU H H 1 8.591 0.00 . 1 . . . . . 233 GLU H . 50386 2 863 . 1 . 1 233 233 GLU N N 15 119.327 0.00 . 1 . . . . . 233 GLU N . 50386 2 864 . 1 . 1 234 234 LYS H H 1 8.123 0.00 . 1 . . . . . 234 LYS H . 50386 2 865 . 1 . 1 234 234 LYS N N 15 120.559 0.00 . 1 . . . . . 234 LYS N . 50386 2 866 . 1 . 1 235 235 THR H H 1 8.063 0.00 . 1 . . . . . 235 THR H . 50386 2 867 . 1 . 1 235 235 THR N N 15 119.235 0.00 . 1 . . . . . 235 THR N . 50386 2 868 . 1 . 1 236 236 VAL H H 1 8.190 0.00 . 1 . . . . . 236 VAL H . 50386 2 869 . 1 . 1 236 236 VAL HG11 H 1 0.877 0.00 . 1 . . . . . 236 VAL QG1 . 50386 2 870 . 1 . 1 236 236 VAL HG12 H 1 0.877 0.00 . 1 . . . . . 236 VAL QG1 . 50386 2 871 . 1 . 1 236 236 VAL HG13 H 1 0.877 0.00 . 1 . . . . . 236 VAL QG1 . 50386 2 872 . 1 . 1 236 236 VAL HG21 H 1 0.877 0.00 . 1 . . . . . 236 VAL QG2 . 50386 2 873 . 1 . 1 236 236 VAL HG22 H 1 0.877 0.00 . 1 . . . . . 236 VAL QG2 . 50386 2 874 . 1 . 1 236 236 VAL HG23 H 1 0.877 0.00 . 1 . . . . . 236 VAL QG2 . 50386 2 875 . 1 . 1 236 236 VAL CG1 C 13 23.726 0.00 . 1 . . . . . 236 VAL CG1 . 50386 2 876 . 1 . 1 236 236 VAL CG2 C 13 21.215 0.00 . 1 . . . . . 236 VAL CG2 . 50386 2 877 . 1 . 1 236 236 VAL N N 15 121.867 0.00 . 1 . . . . . 236 VAL N . 50386 2 878 . 1 . 1 237 237 GLU H H 1 8.056 0.00 . 1 . . . . . 237 GLU H . 50386 2 879 . 1 . 1 237 237 GLU N N 15 119.677 0.00 . 1 . . . . . 237 GLU N . 50386 2 880 . 1 . 1 238 238 ASP H H 1 8.404 0.00 . 1 . . . . . 238 ASP H . 50386 2 881 . 1 . 1 238 238 ASP N N 15 121.271 0.00 . 1 . . . . . 238 ASP N . 50386 2 882 . 1 . 1 239 239 TYR H H 1 8.474 0.00 . 1 . . . . . 239 TYR H . 50386 2 883 . 1 . 1 239 239 TYR N N 15 119.800 0.00 . 1 . . . . . 239 TYR N . 50386 2 884 . 1 . 1 240 240 LYS H H 1 9.093 0.00 . 1 . . . . . 240 LYS H . 50386 2 885 . 1 . 1 240 240 LYS N N 15 123.446 0.00 . 1 . . . . . 240 LYS N . 50386 2 886 . 1 . 1 241 241 SER H H 1 7.801 0.00 . 1 . . . . . 241 SER H . 50386 2 887 . 1 . 1 241 241 SER N N 15 115.523 0.00 . 1 . . . . . 241 SER N . 50386 2 888 . 1 . 1 242 242 LYS H H 1 7.877 0.00 . 1 . . . . . 242 LYS H . 50386 2 889 . 1 . 1 242 242 LYS N N 15 123.633 0.00 . 1 . . . . . 242 LYS N . 50386 2 890 . 1 . 1 243 243 LYS H H 1 8.524 0.00 . 1 . . . . . 243 LYS H . 50386 2 891 . 1 . 1 243 243 LYS N N 15 121.659 0.00 . 1 . . . . . 243 LYS N . 50386 2 892 . 1 . 1 244 244 GLU H H 1 7.992 0.00 . 1 . . . . . 244 GLU H . 50386 2 893 . 1 . 1 244 244 GLU N N 15 118.282 0.00 . 1 . . . . . 244 GLU N . 50386 2 894 . 1 . 1 245 245 SER H H 1 7.862 0.00 . 1 . . . . . 245 SER H . 50386 2 895 . 1 . 1 245 245 SER N N 15 113.520 0.00 . 1 . . . . . 245 SER N . 50386 2 896 . 1 . 1 246 246 TYR H H 1 7.840 0.00 . 1 . . . . . 246 TYR H . 50386 2 897 . 1 . 1 246 246 TYR N N 15 122.069 0.00 . 1 . . . . . 246 TYR N . 50386 2 898 . 1 . 1 247 247 GLU H H 1 7.824 0.00 . 1 . . . . . 247 GLU H . 50386 2 899 . 1 . 1 247 247 GLU N N 15 120.297 0.00 . 1 . . . . . 247 GLU N . 50386 2 900 . 1 . 1 248 248 LYS H H 1 7.473 0.00 . 1 . . . . . 248 LYS H . 50386 2 901 . 1 . 1 248 248 LYS N N 15 126.673 0.00 . 1 . . . . . 248 LYS N . 50386 2 stop_ save_