data_53788 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53788 _Entry.Title ; 1H, 13C, and 15N backbone resonance assignment of a protein encompassing the two PDZ domains of human NHERF1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-05-19 _Entry.Accession_date 2026-05-19 _Entry.Last_release_date 2026-05-19 _Entry.Original_release_date 2026-05-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Almudena Hornero-Romera . . . . 53788 2 Miguel Trevino . A. . 0000-0002-0738-5973 53788 3 David Pantoja-Uceda . . . 0000-0003-4390-6972 53788 4 'M. Angeles' Jimenez . . . 0000-0001-6835-5850 53788 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53788 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 809 53788 '15N chemical shifts' 265 53788 '1H chemical shifts' 280 53788 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-11-01 . original BMRB . 53788 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53788 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 42955470 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N backbone resonance assignment of the N-terminal 280 amino acids of human NHERF1 protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 20 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 31 _Citation.Page_last 31 _Citation.Year 2026 _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 Almudena Hornero-Romera . . . . 53788 1 2 Miguel Trevino . A. . . 53788 1 3 David Pantoja-Uceda . . . . 53788 1 4 Jaime Millan . . . . 53788 1 5 'M. Angeles' Jimenez . . . . 53788 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'PDZ domains, adaptor protein' 53788 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53788 _Assembly.ID 1 _Assembly.Name PDZ1-2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 30593.30 _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 PDZ1-2 1 $entity_1 . . yes native no no . . . 53788 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53788 _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 ; MAHHHHHHGGLPRLCCLEKG PNGYGFHLHGEKGKLGQYIR LVEPGSPAEKAGLLAGDRLV EVNGENVEKETHQQVVSRIR AALNAVRLLVVDPETDEQLQ KLGVQVREELLRAQEAPGQA EPPAAAEVQGAGNENEPREA DKSHPEQRELRPRLCTMKKG PSGYGFNLHSDKSKPGQFIR SVDPDSPAEASGLRAQDRIV EVNGVCMEGKQHGDVVSAIR AGGDETKLLVVDRETDEFFK KCRVIPSQEHLNGPLPVPFT NGEIQKENSREALAEAALES ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues 1-10 (MAHHHHHHGG) are a purification tag, which is maintained in the assigned protein' _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 280 _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 . 53788 1 2 . ALA . 53788 1 3 . HIS . 53788 1 4 . HIS . 53788 1 5 . HIS . 53788 1 6 . HIS . 53788 1 7 . HIS . 53788 1 8 . HIS . 53788 1 9 . GLY . 53788 1 10 . GLY . 53788 1 11 . LEU . 53788 1 12 . PRO . 53788 1 13 . ARG . 53788 1 14 . LEU . 53788 1 15 . CYS . 53788 1 16 . CYS . 53788 1 17 . LEU . 53788 1 18 . GLU . 53788 1 19 . LYS . 53788 1 20 . GLY . 53788 1 21 . PRO . 53788 1 22 . ASN . 53788 1 23 . GLY . 53788 1 24 . TYR . 53788 1 25 . GLY . 53788 1 26 . PHE . 53788 1 27 . HIS . 53788 1 28 . LEU . 53788 1 29 . HIS . 53788 1 30 . GLY . 53788 1 31 . GLU . 53788 1 32 . LYS . 53788 1 33 . GLY . 53788 1 34 . LYS . 53788 1 35 . LEU . 53788 1 36 . GLY . 53788 1 37 . GLN . 53788 1 38 . TYR . 53788 1 39 . ILE . 53788 1 40 . ARG . 53788 1 41 . LEU . 53788 1 42 . VAL . 53788 1 43 . GLU . 53788 1 44 . PRO . 53788 1 45 . GLY . 53788 1 46 . SER . 53788 1 47 . PRO . 53788 1 48 . ALA . 53788 1 49 . GLU . 53788 1 50 . LYS . 53788 1 51 . ALA . 53788 1 52 . GLY . 53788 1 53 . LEU . 53788 1 54 . LEU . 53788 1 55 . ALA . 53788 1 56 . GLY . 53788 1 57 . ASP . 53788 1 58 . ARG . 53788 1 59 . LEU . 53788 1 60 . VAL . 53788 1 61 . GLU . 53788 1 62 . VAL . 53788 1 63 . ASN . 53788 1 64 . GLY . 53788 1 65 . GLU . 53788 1 66 . ASN . 53788 1 67 . VAL . 53788 1 68 . GLU . 53788 1 69 . LYS . 53788 1 70 . GLU . 53788 1 71 . THR . 53788 1 72 . HIS . 53788 1 73 . GLN . 53788 1 74 . GLN . 53788 1 75 . VAL . 53788 1 76 . VAL . 53788 1 77 . SER . 53788 1 78 . ARG . 53788 1 79 . ILE . 53788 1 80 . ARG . 53788 1 81 . ALA . 53788 1 82 . ALA . 53788 1 83 . LEU . 53788 1 84 . ASN . 53788 1 85 . ALA . 53788 1 86 . VAL . 53788 1 87 . ARG . 53788 1 88 . LEU . 53788 1 89 . LEU . 53788 1 90 . VAL . 53788 1 91 . VAL . 53788 1 92 . ASP . 53788 1 93 . PRO . 53788 1 94 . GLU . 53788 1 95 . THR . 53788 1 96 . ASP . 53788 1 97 . GLU . 53788 1 98 . GLN . 53788 1 99 . LEU . 53788 1 100 . GLN . 53788 1 101 . LYS . 53788 1 102 . LEU . 53788 1 103 . GLY . 53788 1 104 . VAL . 53788 1 105 . GLN . 53788 1 106 . VAL . 53788 1 107 . ARG . 53788 1 108 . GLU . 53788 1 109 . GLU . 53788 1 110 . LEU . 53788 1 111 . LEU . 53788 1 112 . ARG . 53788 1 113 . ALA . 53788 1 114 . GLN . 53788 1 115 . GLU . 53788 1 116 . ALA . 53788 1 117 . PRO . 53788 1 118 . GLY . 53788 1 119 . GLN . 53788 1 120 . ALA . 53788 1 121 . GLU . 53788 1 122 . PRO . 53788 1 123 . PRO . 53788 1 124 . ALA . 53788 1 125 . ALA . 53788 1 126 . ALA . 53788 1 127 . GLU . 53788 1 128 . VAL . 53788 1 129 . GLN . 53788 1 130 . GLY . 53788 1 131 . ALA . 53788 1 132 . GLY . 53788 1 133 . ASN . 53788 1 134 . GLU . 53788 1 135 . ASN . 53788 1 136 . GLU . 53788 1 137 . PRO . 53788 1 138 . ARG . 53788 1 139 . GLU . 53788 1 140 . ALA . 53788 1 141 . ASP . 53788 1 142 . LYS . 53788 1 143 . SER . 53788 1 144 . HIS . 53788 1 145 . PRO . 53788 1 146 . GLU . 53788 1 147 . GLN . 53788 1 148 . ARG . 53788 1 149 . GLU . 53788 1 150 . LEU . 53788 1 151 . ARG . 53788 1 152 . PRO . 53788 1 153 . ARG . 53788 1 154 . LEU . 53788 1 155 . CYS . 53788 1 156 . THR . 53788 1 157 . MET . 53788 1 158 . LYS . 53788 1 159 . LYS . 53788 1 160 . GLY . 53788 1 161 . PRO . 53788 1 162 . SER . 53788 1 163 . GLY . 53788 1 164 . TYR . 53788 1 165 . GLY . 53788 1 166 . PHE . 53788 1 167 . ASN . 53788 1 168 . LEU . 53788 1 169 . HIS . 53788 1 170 . SER . 53788 1 171 . ASP . 53788 1 172 . LYS . 53788 1 173 . SER . 53788 1 174 . LYS . 53788 1 175 . PRO . 53788 1 176 . GLY . 53788 1 177 . GLN . 53788 1 178 . PHE . 53788 1 179 . ILE . 53788 1 180 . ARG . 53788 1 181 . SER . 53788 1 182 . VAL . 53788 1 183 . ASP . 53788 1 184 . PRO . 53788 1 185 . ASP . 53788 1 186 . SER . 53788 1 187 . PRO . 53788 1 188 . ALA . 53788 1 189 . GLU . 53788 1 190 . ALA . 53788 1 191 . SER . 53788 1 192 . GLY . 53788 1 193 . LEU . 53788 1 194 . ARG . 53788 1 195 . ALA . 53788 1 196 . GLN . 53788 1 197 . ASP . 53788 1 198 . ARG . 53788 1 199 . ILE . 53788 1 200 . VAL . 53788 1 201 . GLU . 53788 1 202 . VAL . 53788 1 203 . ASN . 53788 1 204 . GLY . 53788 1 205 . VAL . 53788 1 206 . CYS . 53788 1 207 . MET . 53788 1 208 . GLU . 53788 1 209 . GLY . 53788 1 210 . LYS . 53788 1 211 . GLN . 53788 1 212 . HIS . 53788 1 213 . GLY . 53788 1 214 . ASP . 53788 1 215 . VAL . 53788 1 216 . VAL . 53788 1 217 . SER . 53788 1 218 . ALA . 53788 1 219 . ILE . 53788 1 220 . ARG . 53788 1 221 . ALA . 53788 1 222 . GLY . 53788 1 223 . GLY . 53788 1 224 . ASP . 53788 1 225 . GLU . 53788 1 226 . THR . 53788 1 227 . LYS . 53788 1 228 . LEU . 53788 1 229 . LEU . 53788 1 230 . VAL . 53788 1 231 . VAL . 53788 1 232 . ASP . 53788 1 233 . ARG . 53788 1 234 . GLU . 53788 1 235 . THR . 53788 1 236 . ASP . 53788 1 237 . GLU . 53788 1 238 . PHE . 53788 1 239 . PHE . 53788 1 240 . LYS . 53788 1 241 . LYS . 53788 1 242 . CYS . 53788 1 243 . ARG . 53788 1 244 . VAL . 53788 1 245 . ILE . 53788 1 246 . PRO . 53788 1 247 . SER . 53788 1 248 . GLN . 53788 1 249 . GLU . 53788 1 250 . HIS . 53788 1 251 . LEU . 53788 1 252 . ASN . 53788 1 253 . GLY . 53788 1 254 . PRO . 53788 1 255 . LEU . 53788 1 256 . PRO . 53788 1 257 . VAL . 53788 1 258 . PRO . 53788 1 259 . PHE . 53788 1 260 . THR . 53788 1 261 . ASN . 53788 1 262 . GLY . 53788 1 263 . GLU . 53788 1 264 . ILE . 53788 1 265 . GLN . 53788 1 266 . LYS . 53788 1 267 . GLU . 53788 1 268 . ASN . 53788 1 269 . SER . 53788 1 270 . ARG . 53788 1 271 . GLU . 53788 1 272 . ALA . 53788 1 273 . LEU . 53788 1 274 . ALA . 53788 1 275 . GLU . 53788 1 276 . ALA . 53788 1 277 . ALA . 53788 1 278 . LEU . 53788 1 279 . GLU . 53788 1 280 . SER . 53788 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 53788 1 . ALA 2 2 53788 1 . HIS 3 3 53788 1 . HIS 4 4 53788 1 . HIS 5 5 53788 1 . HIS 6 6 53788 1 . HIS 7 7 53788 1 . HIS 8 8 53788 1 . GLY 9 9 53788 1 . GLY 10 10 53788 1 . LEU 11 11 53788 1 . PRO 12 12 53788 1 . ARG 13 13 53788 1 . LEU 14 14 53788 1 . CYS 15 15 53788 1 . CYS 16 16 53788 1 . LEU 17 17 53788 1 . GLU 18 18 53788 1 . LYS 19 19 53788 1 . GLY 20 20 53788 1 . PRO 21 21 53788 1 . ASN 22 22 53788 1 . GLY 23 23 53788 1 . TYR 24 24 53788 1 . GLY 25 25 53788 1 . PHE 26 26 53788 1 . HIS 27 27 53788 1 . LEU 28 28 53788 1 . HIS 29 29 53788 1 . GLY 30 30 53788 1 . GLU 31 31 53788 1 . LYS 32 32 53788 1 . GLY 33 33 53788 1 . LYS 34 34 53788 1 . LEU 35 35 53788 1 . GLY 36 36 53788 1 . GLN 37 37 53788 1 . TYR 38 38 53788 1 . ILE 39 39 53788 1 . ARG 40 40 53788 1 . LEU 41 41 53788 1 . VAL 42 42 53788 1 . GLU 43 43 53788 1 . PRO 44 44 53788 1 . GLY 45 45 53788 1 . SER 46 46 53788 1 . PRO 47 47 53788 1 . ALA 48 48 53788 1 . GLU 49 49 53788 1 . LYS 50 50 53788 1 . ALA 51 51 53788 1 . GLY 52 52 53788 1 . LEU 53 53 53788 1 . LEU 54 54 53788 1 . ALA 55 55 53788 1 . GLY 56 56 53788 1 . ASP 57 57 53788 1 . ARG 58 58 53788 1 . LEU 59 59 53788 1 . VAL 60 60 53788 1 . GLU 61 61 53788 1 . VAL 62 62 53788 1 . ASN 63 63 53788 1 . GLY 64 64 53788 1 . GLU 65 65 53788 1 . ASN 66 66 53788 1 . VAL 67 67 53788 1 . GLU 68 68 53788 1 . LYS 69 69 53788 1 . GLU 70 70 53788 1 . THR 71 71 53788 1 . HIS 72 72 53788 1 . GLN 73 73 53788 1 . GLN 74 74 53788 1 . VAL 75 75 53788 1 . VAL 76 76 53788 1 . SER 77 77 53788 1 . ARG 78 78 53788 1 . ILE 79 79 53788 1 . ARG 80 80 53788 1 . ALA 81 81 53788 1 . ALA 82 82 53788 1 . LEU 83 83 53788 1 . ASN 84 84 53788 1 . ALA 85 85 53788 1 . VAL 86 86 53788 1 . ARG 87 87 53788 1 . LEU 88 88 53788 1 . LEU 89 89 53788 1 . VAL 90 90 53788 1 . VAL 91 91 53788 1 . ASP 92 92 53788 1 . PRO 93 93 53788 1 . GLU 94 94 53788 1 . THR 95 95 53788 1 . ASP 96 96 53788 1 . GLU 97 97 53788 1 . GLN 98 98 53788 1 . LEU 99 99 53788 1 . GLN 100 100 53788 1 . LYS 101 101 53788 1 . LEU 102 102 53788 1 . GLY 103 103 53788 1 . VAL 104 104 53788 1 . GLN 105 105 53788 1 . VAL 106 106 53788 1 . ARG 107 107 53788 1 . GLU 108 108 53788 1 . GLU 109 109 53788 1 . LEU 110 110 53788 1 . LEU 111 111 53788 1 . ARG 112 112 53788 1 . ALA 113 113 53788 1 . GLN 114 114 53788 1 . GLU 115 115 53788 1 . ALA 116 116 53788 1 . PRO 117 117 53788 1 . GLY 118 118 53788 1 . GLN 119 119 53788 1 . ALA 120 120 53788 1 . GLU 121 121 53788 1 . PRO 122 122 53788 1 . PRO 123 123 53788 1 . ALA 124 124 53788 1 . ALA 125 125 53788 1 . ALA 126 126 53788 1 . GLU 127 127 53788 1 . VAL 128 128 53788 1 . GLN 129 129 53788 1 . GLY 130 130 53788 1 . ALA 131 131 53788 1 . GLY 132 132 53788 1 . ASN 133 133 53788 1 . GLU 134 134 53788 1 . ASN 135 135 53788 1 . GLU 136 136 53788 1 . PRO 137 137 53788 1 . ARG 138 138 53788 1 . GLU 139 139 53788 1 . ALA 140 140 53788 1 . ASP 141 141 53788 1 . LYS 142 142 53788 1 . SER 143 143 53788 1 . HIS 144 144 53788 1 . PRO 145 145 53788 1 . GLU 146 146 53788 1 . GLN 147 147 53788 1 . ARG 148 148 53788 1 . GLU 149 149 53788 1 . LEU 150 150 53788 1 . ARG 151 151 53788 1 . PRO 152 152 53788 1 . ARG 153 153 53788 1 . LEU 154 154 53788 1 . CYS 155 155 53788 1 . THR 156 156 53788 1 . MET 157 157 53788 1 . LYS 158 158 53788 1 . LYS 159 159 53788 1 . GLY 160 160 53788 1 . PRO 161 161 53788 1 . SER 162 162 53788 1 . GLY 163 163 53788 1 . TYR 164 164 53788 1 . GLY 165 165 53788 1 . PHE 166 166 53788 1 . ASN 167 167 53788 1 . LEU 168 168 53788 1 . HIS 169 169 53788 1 . SER 170 170 53788 1 . ASP 171 171 53788 1 . LYS 172 172 53788 1 . SER 173 173 53788 1 . LYS 174 174 53788 1 . PRO 175 175 53788 1 . GLY 176 176 53788 1 . GLN 177 177 53788 1 . PHE 178 178 53788 1 . ILE 179 179 53788 1 . ARG 180 180 53788 1 . SER 181 181 53788 1 . VAL 182 182 53788 1 . ASP 183 183 53788 1 . PRO 184 184 53788 1 . ASP 185 185 53788 1 . SER 186 186 53788 1 . PRO 187 187 53788 1 . ALA 188 188 53788 1 . GLU 189 189 53788 1 . ALA 190 190 53788 1 . SER 191 191 53788 1 . GLY 192 192 53788 1 . LEU 193 193 53788 1 . ARG 194 194 53788 1 . ALA 195 195 53788 1 . GLN 196 196 53788 1 . ASP 197 197 53788 1 . ARG 198 198 53788 1 . ILE 199 199 53788 1 . VAL 200 200 53788 1 . GLU 201 201 53788 1 . VAL 202 202 53788 1 . ASN 203 203 53788 1 . GLY 204 204 53788 1 . VAL 205 205 53788 1 . CYS 206 206 53788 1 . MET 207 207 53788 1 . GLU 208 208 53788 1 . GLY 209 209 53788 1 . LYS 210 210 53788 1 . GLN 211 211 53788 1 . HIS 212 212 53788 1 . GLY 213 213 53788 1 . ASP 214 214 53788 1 . VAL 215 215 53788 1 . VAL 216 216 53788 1 . SER 217 217 53788 1 . ALA 218 218 53788 1 . ILE 219 219 53788 1 . ARG 220 220 53788 1 . ALA 221 221 53788 1 . GLY 222 222 53788 1 . GLY 223 223 53788 1 . ASP 224 224 53788 1 . GLU 225 225 53788 1 . THR 226 226 53788 1 . LYS 227 227 53788 1 . LEU 228 228 53788 1 . LEU 229 229 53788 1 . VAL 230 230 53788 1 . VAL 231 231 53788 1 . ASP 232 232 53788 1 . ARG 233 233 53788 1 . GLU 234 234 53788 1 . THR 235 235 53788 1 . ASP 236 236 53788 1 . GLU 237 237 53788 1 . PHE 238 238 53788 1 . PHE 239 239 53788 1 . LYS 240 240 53788 1 . LYS 241 241 53788 1 . CYS 242 242 53788 1 . ARG 243 243 53788 1 . VAL 244 244 53788 1 . ILE 245 245 53788 1 . PRO 246 246 53788 1 . SER 247 247 53788 1 . GLN 248 248 53788 1 . GLU 249 249 53788 1 . HIS 250 250 53788 1 . LEU 251 251 53788 1 . ASN 252 252 53788 1 . GLY 253 253 53788 1 . PRO 254 254 53788 1 . LEU 255 255 53788 1 . PRO 256 256 53788 1 . VAL 257 257 53788 1 . PRO 258 258 53788 1 . PHE 259 259 53788 1 . THR 260 260 53788 1 . ASN 261 261 53788 1 . GLY 262 262 53788 1 . GLU 263 263 53788 1 . ILE 264 264 53788 1 . GLN 265 265 53788 1 . LYS 266 266 53788 1 . GLU 267 267 53788 1 . ASN 268 268 53788 1 . SER 269 269 53788 1 . ARG 270 270 53788 1 . GLU 271 271 53788 1 . ALA 272 272 53788 1 . LEU 273 273 53788 1 . ALA 274 274 53788 1 . GLU 275 275 53788 1 . ALA 276 276 53788 1 . ALA 277 277 53788 1 . LEU 278 278 53788 1 . GLU 279 279 53788 1 . SER 280 280 53788 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53788 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 53788 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 53788 _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 . . pET24(+) . . . 53788 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53788 _Sample.ID 1 _Sample.Name 13C-15N-sample _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PDZ1-2 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.85 0.8 0.9 mM . . . . 53788 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 53788 1 3 D2O '[U-99.96% 2H]' . . . . . . 10 . . % . . . . 53788 1 4 'potassium phosphate' 'natural abundance' . . . . . . 5 . . mM . . . . 53788 1 5 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 53788 1 6 beta-mercaptoethanol 'natural abundance' . . . . . . 2 . . mM . . . . 53788 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 53788 _Sample_condition_list.ID 1 _Sample_condition_list.Name conditions_1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 15 . mM 53788 1 pH 6.4 . pH 53788 1 pressure 1 . atm 53788 1 temperature 298 . K 53788 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53788 _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 'chemical shift assignment' . 53788 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53788 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53788 2 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 53788 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name AVNEO-600 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 53788 _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 . . . . . . . . . . . . . . . . . 53788 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53788 1 3 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53788 1 4 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53788 1 5 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53788 1 6 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53788 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 53788 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chemical_shift_reference_1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 53788 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 53788 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 53788 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 53788 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name chemical_shift_list_1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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' . . . 53788 1 2 '3D HNCO' . . . 53788 1 3 '3D HNCA' . . . 53788 1 4 '3D HN(CA)CO' . . . 53788 1 5 '3D CBCA(CO)NH' . . . 53788 1 6 '3D HNCACB' . . . 53788 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 . . 53788 1 2 $software_2 . . 53788 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET C C 13 175.046 0.000 . 1 . . . . . 1 MET C . 53788 1 2 . 1 . 1 1 1 MET CA C 13 56.370 0.047 . 1 . . . . . 1 MET CA . 53788 1 3 . 1 . 1 1 1 MET CB C 13 30.285 0.033 . 1 . . . . . 1 MET CB . 53788 1 4 . 1 . 1 2 2 ALA H H 1 7.909 0.001 . 1 . . . . . 2 ALA H . 53788 1 5 . 1 . 1 2 2 ALA C C 13 175.051 0.000 . 1 . . . . . 2 ALA C . 53788 1 6 . 1 . 1 2 2 ALA CA C 13 53.708 0.042 . 1 . . . . . 2 ALA CA . 53788 1 7 . 1 . 1 2 2 ALA CB C 13 20.261 0.000 . 1 . . . . . 2 ALA CB . 53788 1 8 . 1 . 1 2 2 ALA N N 15 130.610 0.010 . 1 . . . . . 2 ALA N . 53788 1 9 . 1 . 1 8 8 HIS C C 13 175.245 0.001 . 1 . . . . . 8 HIS C . 53788 1 10 . 1 . 1 8 8 HIS CA C 13 55.838 0.084 . 1 . . . . . 8 HIS CA . 53788 1 11 . 1 . 1 8 8 HIS CB C 13 30.069 0.017 . 1 . . . . . 8 HIS CB . 53788 1 12 . 1 . 1 9 9 GLY H H 1 8.220 0.004 . 1 . . . . . 9 GLY H . 53788 1 13 . 1 . 1 9 9 GLY C C 13 174.327 0.012 . 1 . . . . . 9 GLY C . 53788 1 14 . 1 . 1 9 9 GLY CA C 13 45.399 0.053 . 1 . . . . . 9 GLY CA . 53788 1 15 . 1 . 1 9 9 GLY N N 15 109.680 0.068 . 1 . . . . . 9 GLY N . 53788 1 16 . 1 . 1 10 10 GLY H H 1 8.428 0.004 . 1 . . . . . 10 GLY H . 53788 1 17 . 1 . 1 10 10 GLY C C 13 172.765 0.008 . 1 . . . . . 10 GLY C . 53788 1 18 . 1 . 1 10 10 GLY CA C 13 45.730 0.056 . 1 . . . . . 10 GLY CA . 53788 1 19 . 1 . 1 10 10 GLY N N 15 108.633 0.050 . 1 . . . . . 10 GLY N . 53788 1 20 . 1 . 1 11 11 LEU H H 1 7.544 0.003 . 1 . . . . . 11 LEU H . 53788 1 21 . 1 . 1 11 11 LEU C C 13 175.472 0.000 . 1 . . . . . 11 LEU C . 53788 1 22 . 1 . 1 11 11 LEU CA C 13 51.706 0.071 . 1 . . . . . 11 LEU CA . 53788 1 23 . 1 . 1 11 11 LEU N N 15 118.759 0.014 . 1 . . . . . 11 LEU N . 53788 1 24 . 1 . 1 12 12 PRO C C 13 173.255 0.000 . 1 . . . . . 12 PRO C . 53788 1 25 . 1 . 1 12 12 PRO CA C 13 62.521 0.097 . 1 . . . . . 12 PRO CA . 53788 1 26 . 1 . 1 12 12 PRO CB C 13 32.303 0.000 . 1 . . . . . 12 PRO CB . 53788 1 27 . 1 . 1 13 13 ARG H H 1 8.548 0.004 . 1 . . . . . 13 ARG H . 53788 1 28 . 1 . 1 13 13 ARG C C 13 173.511 0.017 . 1 . . . . . 13 ARG C . 53788 1 29 . 1 . 1 13 13 ARG CA C 13 55.001 0.049 . 1 . . . . . 13 ARG CA . 53788 1 30 . 1 . 1 13 13 ARG CB C 13 32.774 0.077 . 1 . . . . . 13 ARG CB . 53788 1 31 . 1 . 1 13 13 ARG N N 15 117.390 0.049 . 1 . . . . . 13 ARG N . 53788 1 32 . 1 . 1 14 14 LEU H H 1 8.517 0.003 . 1 . . . . . 14 LEU H . 53788 1 33 . 1 . 1 14 14 LEU C C 13 176.226 0.006 . 1 . . . . . 14 LEU C . 53788 1 34 . 1 . 1 14 14 LEU CA C 13 53.181 0.072 . 1 . . . . . 14 LEU CA . 53788 1 35 . 1 . 1 14 14 LEU CB C 13 43.159 0.117 . 1 . . . . . 14 LEU CB . 53788 1 36 . 1 . 1 14 14 LEU N N 15 124.792 0.035 . 1 . . . . . 14 LEU N . 53788 1 37 . 1 . 1 15 15 CYS H H 1 9.256 0.005 . 1 . . . . . 15 CYS H . 53788 1 38 . 1 . 1 15 15 CYS C C 13 173.468 0.007 . 1 . . . . . 15 CYS C . 53788 1 39 . 1 . 1 15 15 CYS CA C 13 57.652 0.100 . 1 . . . . . 15 CYS CA . 53788 1 40 . 1 . 1 15 15 CYS CB C 13 29.915 0.111 . 1 . . . . . 15 CYS CB . 53788 1 41 . 1 . 1 15 15 CYS N N 15 126.970 0.033 . 1 . . . . . 15 CYS N . 53788 1 42 . 1 . 1 16 16 CYS H H 1 9.048 0.006 . 1 . . . . . 16 CYS H . 53788 1 43 . 1 . 1 16 16 CYS C C 13 172.941 0.013 . 1 . . . . . 16 CYS C . 53788 1 44 . 1 . 1 16 16 CYS CA C 13 58.005 0.120 . 1 . . . . . 16 CYS CA . 53788 1 45 . 1 . 1 16 16 CYS CB C 13 27.538 0.034 . 1 . . . . . 16 CYS CB . 53788 1 46 . 1 . 1 16 16 CYS N N 15 125.044 0.151 . 1 . . . . . 16 CYS N . 53788 1 47 . 1 . 1 17 17 LEU H H 1 8.761 0.004 . 1 . . . . . 17 LEU H . 53788 1 48 . 1 . 1 17 17 LEU C C 13 175.673 0.006 . 1 . . . . . 17 LEU C . 53788 1 49 . 1 . 1 17 17 LEU CA C 13 54.977 0.084 . 1 . . . . . 17 LEU CA . 53788 1 50 . 1 . 1 17 17 LEU CB C 13 44.442 0.113 . 1 . . . . . 17 LEU CB . 53788 1 51 . 1 . 1 17 17 LEU N N 15 124.801 0.019 . 1 . . . . . 17 LEU N . 53788 1 52 . 1 . 1 18 18 GLU H H 1 8.301 0.002 . 1 . . . . . 18 GLU H . 53788 1 53 . 1 . 1 18 18 GLU C C 13 175.605 0.015 . 1 . . . . . 18 GLU C . 53788 1 54 . 1 . 1 18 18 GLU CA C 13 54.925 0.018 . 1 . . . . . 18 GLU CA . 53788 1 55 . 1 . 1 18 18 GLU CB C 13 31.439 0.000 . 1 . . . . . 18 GLU CB . 53788 1 56 . 1 . 1 18 18 GLU N N 15 121.621 0.036 . 1 . . . . . 18 GLU N . 53788 1 57 . 1 . 1 19 19 LYS H H 1 8.105 0.003 . 1 . . . . . 19 LYS H . 53788 1 58 . 1 . 1 19 19 LYS C C 13 176.695 0.005 . 1 . . . . . 19 LYS C . 53788 1 59 . 1 . 1 19 19 LYS CA C 13 58.666 0.095 . 1 . . . . . 19 LYS CA . 53788 1 60 . 1 . 1 19 19 LYS CB C 13 32.453 0.043 . 1 . . . . . 19 LYS CB . 53788 1 61 . 1 . 1 19 19 LYS N N 15 123.492 0.038 . 1 . . . . . 19 LYS N . 53788 1 62 . 1 . 1 20 20 GLY H H 1 6.982 0.003 . 1 . . . . . 20 GLY H . 53788 1 63 . 1 . 1 20 20 GLY C C 13 173.328 0.000 . 1 . . . . . 20 GLY C . 53788 1 64 . 1 . 1 20 20 GLY CA C 13 44.334 0.027 . 1 . . . . . 20 GLY CA . 53788 1 65 . 1 . 1 20 20 GLY N N 15 112.281 0.080 . 1 . . . . . 20 GLY N . 53788 1 66 . 1 . 1 21 21 PRO C C 13 177.157 0.011 . 1 . . . . . 21 PRO C . 53788 1 67 . 1 . 1 21 21 PRO CA C 13 64.688 0.017 . 1 . . . . . 21 PRO CA . 53788 1 68 . 1 . 1 21 21 PRO CB C 13 31.823 0.055 . 1 . . . . . 21 PRO CB . 53788 1 69 . 1 . 1 22 22 ASN H H 1 8.459 0.003 . 1 . . . . . 22 ASN H . 53788 1 70 . 1 . 1 22 22 ASN HD21 H 1 6.835 0.002 . 2 . . . . . 22 ASN HD21 . 53788 1 71 . 1 . 1 22 22 ASN HD22 H 1 7.551 0.002 . 2 . . . . . 22 ASN HD22 . 53788 1 72 . 1 . 1 22 22 ASN C C 13 175.178 0.015 . 1 . . . . . 22 ASN C . 53788 1 73 . 1 . 1 22 22 ASN CA C 13 51.817 0.065 . 1 . . . . . 22 ASN CA . 53788 1 74 . 1 . 1 22 22 ASN CB C 13 39.151 0.047 . 1 . . . . . 22 ASN CB . 53788 1 75 . 1 . 1 22 22 ASN CG C 13 177.721 0.012 . 1 . . . . . 22 ASN CG . 53788 1 76 . 1 . 1 22 22 ASN N N 15 114.552 0.019 . 1 . . . . . 22 ASN N . 53788 1 77 . 1 . 1 22 22 ASN ND2 N 15 112.950 0.053 . 1 . . . . . 22 ASN ND2 . 53788 1 78 . 1 . 1 23 23 GLY H H 1 7.521 0.005 . 1 . . . . . 23 GLY H . 53788 1 79 . 1 . 1 23 23 GLY C C 13 174.959 0.000 . 1 . . . . . 23 GLY C . 53788 1 80 . 1 . 1 23 23 GLY CA C 13 44.501 0.017 . 1 . . . . . 23 GLY CA . 53788 1 81 . 1 . 1 23 23 GLY N N 15 107.186 0.019 . 1 . . . . . 23 GLY N . 53788 1 82 . 1 . 1 24 24 TYR C C 13 177.228 0.000 . 1 . . . . . 24 TYR C . 53788 1 83 . 1 . 1 24 24 TYR CA C 13 60.861 0.000 . 1 . . . . . 24 TYR CA . 53788 1 84 . 1 . 1 25 25 GLY H H 1 8.322 0.004 . 1 . . . . . 25 GLY H . 53788 1 85 . 1 . 1 25 25 GLY C C 13 173.048 0.000 . 1 . . . . . 25 GLY C . 53788 1 86 . 1 . 1 25 25 GLY CA C 13 45.754 0.041 . 1 . . . . . 25 GLY CA . 53788 1 87 . 1 . 1 25 25 GLY N N 15 103.692 0.013 . 1 . . . . . 25 GLY N . 53788 1 88 . 1 . 1 26 26 PHE H H 1 6.747 0.042 . 1 . . . . . 26 PHE H . 53788 1 89 . 1 . 1 26 26 PHE C C 13 172.326 0.023 . 1 . . . . . 26 PHE C . 53788 1 90 . 1 . 1 26 26 PHE CA C 13 54.399 0.095 . 1 . . . . . 26 PHE CA . 53788 1 91 . 1 . 1 26 26 PHE CB C 13 41.941 0.038 . 1 . . . . . 26 PHE CB . 53788 1 92 . 1 . 1 26 26 PHE N N 15 110.974 0.101 . 1 . . . . . 26 PHE N . 53788 1 93 . 1 . 1 27 27 HIS H H 1 8.040 0.008 . 1 . . . . . 27 HIS H . 53788 1 94 . 1 . 1 27 27 HIS C C 13 175.056 0.083 . 1 . . . . . 27 HIS C . 53788 1 95 . 1 . 1 27 27 HIS CA C 13 54.709 0.078 . 1 . . . . . 27 HIS CA . 53788 1 96 . 1 . 1 27 27 HIS CB C 13 34.537 0.004 . 1 . . . . . 27 HIS CB . 53788 1 97 . 1 . 1 27 27 HIS N N 15 119.267 0.180 . 1 . . . . . 27 HIS N . 53788 1 98 . 1 . 1 28 28 LEU H H 1 9.513 0.007 . 1 . . . . . 28 LEU H . 53788 1 99 . 1 . 1 28 28 LEU C C 13 176.861 0.041 . 1 . . . . . 28 LEU C . 53788 1 100 . 1 . 1 28 28 LEU CA C 13 54.005 0.087 . 1 . . . . . 28 LEU CA . 53788 1 101 . 1 . 1 28 28 LEU CB C 13 45.472 0.117 . 1 . . . . . 28 LEU CB . 53788 1 102 . 1 . 1 28 28 LEU N N 15 125.331 0.016 . 1 . . . . . 28 LEU N . 53788 1 103 . 1 . 1 29 29 HIS H H 1 9.546 0.007 . 1 . . . . . 29 HIS H . 53788 1 104 . 1 . 1 29 29 HIS C C 13 173.601 0.002 . 1 . . . . . 29 HIS C . 53788 1 105 . 1 . 1 29 29 HIS CA C 13 55.706 0.068 . 1 . . . . . 29 HIS CA . 53788 1 106 . 1 . 1 29 29 HIS CB C 13 33.748 0.023 . 1 . . . . . 29 HIS CB . 53788 1 107 . 1 . 1 29 29 HIS N N 15 119.464 0.088 . 1 . . . . . 29 HIS N . 53788 1 108 . 1 . 1 30 30 GLY H H 1 8.142 0.005 . 1 . . . . . 30 GLY H . 53788 1 109 . 1 . 1 30 30 GLY C C 13 172.880 0.004 . 1 . . . . . 30 GLY C . 53788 1 110 . 1 . 1 30 30 GLY CA C 13 44.257 0.060 . 1 . . . . . 30 GLY CA . 53788 1 111 . 1 . 1 30 30 GLY N N 15 108.430 0.046 . 1 . . . . . 30 GLY N . 53788 1 112 . 1 . 1 31 31 GLU H H 1 8.788 0.011 . 1 . . . . . 31 GLU H . 53788 1 113 . 1 . 1 31 31 GLU C C 13 176.104 0.000 . 1 . . . . . 31 GLU C . 53788 1 114 . 1 . 1 31 31 GLU CA C 13 54.968 0.070 . 1 . . . . . 31 GLU CA . 53788 1 115 . 1 . 1 31 31 GLU CB C 13 32.331 0.091 . 1 . . . . . 31 GLU CB . 53788 1 116 . 1 . 1 31 31 GLU N N 15 120.089 0.055 . 1 . . . . . 31 GLU N . 53788 1 117 . 1 . 1 32 32 LYS H H 1 8.434 0.006 . 1 . . . . . 32 LYS H . 53788 1 118 . 1 . 1 32 32 LYS C C 13 177.682 0.005 . 1 . . . . . 32 LYS C . 53788 1 119 . 1 . 1 32 32 LYS CA C 13 57.860 0.055 . 1 . . . . . 32 LYS CA . 53788 1 120 . 1 . 1 32 32 LYS CB C 13 32.139 0.000 . 1 . . . . . 32 LYS CB . 53788 1 121 . 1 . 1 32 32 LYS N N 15 124.075 0.028 . 1 . . . . . 32 LYS N . 53788 1 122 . 1 . 1 33 33 GLY H H 1 8.770 0.002 . 1 . . . . . 33 GLY H . 53788 1 123 . 1 . 1 33 33 GLY C C 13 173.539 0.009 . 1 . . . . . 33 GLY C . 53788 1 124 . 1 . 1 33 33 GLY CA C 13 45.409 0.050 . 1 . . . . . 33 GLY CA . 53788 1 125 . 1 . 1 33 33 GLY N N 15 112.647 0.021 . 1 . . . . . 33 GLY N . 53788 1 126 . 1 . 1 34 34 LYS H H 1 7.792 0.003 . 1 . . . . . 34 LYS H . 53788 1 127 . 1 . 1 34 34 LYS C C 13 176.641 0.009 . 1 . . . . . 34 LYS C . 53788 1 128 . 1 . 1 34 34 LYS CA C 13 54.763 0.145 . 1 . . . . . 34 LYS CA . 53788 1 129 . 1 . 1 34 34 LYS CB C 13 34.902 0.040 . 1 . . . . . 34 LYS CB . 53788 1 130 . 1 . 1 34 34 LYS N N 15 119.001 0.019 . 1 . . . . . 34 LYS N . 53788 1 131 . 1 . 1 35 35 LEU H H 1 8.663 0.008 . 1 . . . . . 35 LEU H . 53788 1 132 . 1 . 1 35 35 LEU C C 13 177.573 0.003 . 1 . . . . . 35 LEU C . 53788 1 133 . 1 . 1 35 35 LEU CA C 13 55.000 0.087 . 1 . . . . . 35 LEU CA . 53788 1 134 . 1 . 1 35 35 LEU CB C 13 42.904 0.027 . 1 . . . . . 35 LEU CB . 53788 1 135 . 1 . 1 35 35 LEU N N 15 123.623 0.016 . 1 . . . . . 35 LEU N . 53788 1 136 . 1 . 1 36 36 GLY H H 1 8.383 0.007 . 1 . . . . . 36 GLY H . 53788 1 137 . 1 . 1 36 36 GLY C C 13 173.284 0.008 . 1 . . . . . 36 GLY C . 53788 1 138 . 1 . 1 36 36 GLY CA C 13 44.883 0.030 . 1 . . . . . 36 GLY CA . 53788 1 139 . 1 . 1 36 36 GLY N N 15 110.545 0.075 . 1 . . . . . 36 GLY N . 53788 1 140 . 1 . 1 37 37 GLN H H 1 8.852 0.007 . 1 . . . . . 37 GLN H . 53788 1 141 . 1 . 1 37 37 GLN C C 13 173.982 0.009 . 1 . . . . . 37 GLN C . 53788 1 142 . 1 . 1 37 37 GLN CA C 13 53.853 0.042 . 1 . . . . . 37 GLN CA . 53788 1 143 . 1 . 1 37 37 GLN CB C 13 31.623 0.035 . 1 . . . . . 37 GLN CB . 53788 1 144 . 1 . 1 37 37 GLN N N 15 117.759 0.049 . 1 . . . . . 37 GLN N . 53788 1 145 . 1 . 1 38 38 TYR H H 1 8.930 0.011 . 1 . . . . . 38 TYR H . 53788 1 146 . 1 . 1 38 38 TYR C C 13 176.162 0.003 . 1 . . . . . 38 TYR C . 53788 1 147 . 1 . 1 38 38 TYR CA C 13 55.716 0.071 . 1 . . . . . 38 TYR CA . 53788 1 148 . 1 . 1 38 38 TYR CB C 13 42.255 0.042 . 1 . . . . . 38 TYR CB . 53788 1 149 . 1 . 1 38 38 TYR N N 15 119.251 0.023 . 1 . . . . . 38 TYR N . 53788 1 150 . 1 . 1 39 39 ILE H H 1 9.216 0.003 . 1 . . . . . 39 ILE H . 53788 1 151 . 1 . 1 39 39 ILE C C 13 175.978 0.033 . 1 . . . . . 39 ILE C . 53788 1 152 . 1 . 1 39 39 ILE CA C 13 60.565 0.065 . 1 . . . . . 39 ILE CA . 53788 1 153 . 1 . 1 39 39 ILE CB C 13 35.820 0.199 . 1 . . . . . 39 ILE CB . 53788 1 154 . 1 . 1 39 39 ILE N N 15 120.495 0.056 . 1 . . . . . 39 ILE N . 53788 1 155 . 1 . 1 40 40 ARG H H 1 9.300 0.007 . 1 . . . . . 40 ARG H . 53788 1 156 . 1 . 1 40 40 ARG C C 13 174.916 0.014 . 1 . . . . . 40 ARG C . 53788 1 157 . 1 . 1 40 40 ARG CA C 13 57.038 0.092 . 1 . . . . . 40 ARG CA . 53788 1 158 . 1 . 1 40 40 ARG CB C 13 31.442 0.122 . 1 . . . . . 40 ARG CB . 53788 1 159 . 1 . 1 40 40 ARG N N 15 130.645 0.046 . 1 . . . . . 40 ARG N . 53788 1 160 . 1 . 1 41 41 LEU H H 1 7.066 0.006 . 1 . . . . . 41 LEU H . 53788 1 161 . 1 . 1 41 41 LEU C C 13 173.747 0.012 . 1 . . . . . 41 LEU C . 53788 1 162 . 1 . 1 41 41 LEU CA C 13 54.928 0.036 . 1 . . . . . 41 LEU CA . 53788 1 163 . 1 . 1 41 41 LEU CB C 13 45.901 0.067 . 1 . . . . . 41 LEU CB . 53788 1 164 . 1 . 1 41 41 LEU N N 15 116.597 0.030 . 1 . . . . . 41 LEU N . 53788 1 165 . 1 . 1 42 42 VAL H H 1 8.722 0.006 . 1 . . . . . 42 VAL H . 53788 1 166 . 1 . 1 42 42 VAL C C 13 175.543 0.006 . 1 . . . . . 42 VAL C . 53788 1 167 . 1 . 1 42 42 VAL CA C 13 61.375 0.039 . 1 . . . . . 42 VAL CA . 53788 1 168 . 1 . 1 42 42 VAL CB C 13 33.526 0.043 . 1 . . . . . 42 VAL CB . 53788 1 169 . 1 . 1 42 42 VAL N N 15 125.959 0.025 . 1 . . . . . 42 VAL N . 53788 1 170 . 1 . 1 43 43 GLU H H 1 9.112 0.004 . 1 . . . . . 43 GLU H . 53788 1 171 . 1 . 1 43 43 GLU C C 13 175.166 0.000 . 1 . . . . . 43 GLU C . 53788 1 172 . 1 . 1 43 43 GLU CA C 13 54.816 0.025 . 1 . . . . . 43 GLU CA . 53788 1 173 . 1 . 1 43 43 GLU CB C 13 28.999 0.000 . 1 . . . . . 43 GLU CB . 53788 1 174 . 1 . 1 43 43 GLU N N 15 128.052 0.043 . 1 . . . . . 43 GLU N . 53788 1 175 . 1 . 1 44 44 PRO C C 13 178.255 0.022 . 1 . . . . . 44 PRO C . 53788 1 176 . 1 . 1 44 44 PRO CA C 13 63.453 0.099 . 1 . . . . . 44 PRO CA . 53788 1 177 . 1 . 1 44 44 PRO CB C 13 31.764 0.009 . 1 . . . . . 44 PRO CB . 53788 1 178 . 1 . 1 45 45 GLY H H 1 9.442 0.004 . 1 . . . . . 45 GLY H . 53788 1 179 . 1 . 1 45 45 GLY C C 13 173.593 0.000 . 1 . . . . . 45 GLY C . 53788 1 180 . 1 . 1 45 45 GLY CA C 13 45.779 0.038 . 1 . . . . . 45 GLY CA . 53788 1 181 . 1 . 1 45 45 GLY N N 15 113.126 0.010 . 1 . . . . . 45 GLY N . 53788 1 182 . 1 . 1 46 46 SER H H 1 7.447 0.002 . 1 . . . . . 46 SER H . 53788 1 183 . 1 . 1 46 46 SER C C 13 173.608 0.000 . 1 . . . . . 46 SER C . 53788 1 184 . 1 . 1 46 46 SER CA C 13 57.332 0.067 . 1 . . . . . 46 SER CA . 53788 1 185 . 1 . 1 46 46 SER CB C 13 64.898 0.000 . 1 . . . . . 46 SER CB . 53788 1 186 . 1 . 1 46 46 SER N N 15 114.220 0.022 . 1 . . . . . 46 SER N . 53788 1 187 . 1 . 1 47 47 PRO C C 13 179.444 0.000 . 1 . . . . . 47 PRO C . 53788 1 188 . 1 . 1 47 47 PRO CA C 13 65.478 0.053 . 1 . . . . . 47 PRO CA . 53788 1 189 . 1 . 1 47 47 PRO CB C 13 32.692 0.000 . 1 . . . . . 47 PRO CB . 53788 1 190 . 1 . 1 48 48 ALA H H 1 7.839 0.017 . 1 . . . . . 48 ALA H . 53788 1 191 . 1 . 1 48 48 ALA C C 13 177.133 0.008 . 1 . . . . . 48 ALA C . 53788 1 192 . 1 . 1 48 48 ALA CA C 13 55.277 0.046 . 1 . . . . . 48 ALA CA . 53788 1 193 . 1 . 1 48 48 ALA CB C 13 20.402 0.031 . 1 . . . . . 48 ALA CB . 53788 1 194 . 1 . 1 48 48 ALA N N 15 116.880 0.053 . 1 . . . . . 48 ALA N . 53788 1 195 . 1 . 1 49 49 GLU H H 1 7.764 0.009 . 1 . . . . . 49 GLU H . 53788 1 196 . 1 . 1 49 49 GLU C C 13 181.037 0.010 . 1 . . . . . 49 GLU C . 53788 1 197 . 1 . 1 49 49 GLU CA C 13 59.374 0.024 . 1 . . . . . 49 GLU CA . 53788 1 198 . 1 . 1 49 49 GLU CB C 13 30.011 0.176 . 1 . . . . . 49 GLU CB . 53788 1 199 . 1 . 1 49 49 GLU N N 15 120.130 0.032 . 1 . . . . . 49 GLU N . 53788 1 200 . 1 . 1 50 50 LYS H H 1 8.139 0.011 . 1 . . . . . 50 LYS H . 53788 1 201 . 1 . 1 50 50 LYS C C 13 177.646 0.000 . 1 . . . . . 50 LYS C . 53788 1 202 . 1 . 1 50 50 LYS CA C 13 59.023 0.121 . 1 . . . . . 50 LYS CA . 53788 1 203 . 1 . 1 50 50 LYS CB C 13 32.258 0.065 . 1 . . . . . 50 LYS CB . 53788 1 204 . 1 . 1 50 50 LYS N N 15 120.555 0.060 . 1 . . . . . 50 LYS N . 53788 1 205 . 1 . 1 51 51 ALA H H 1 7.755 0.002 . 1 . . . . . 51 ALA H . 53788 1 206 . 1 . 1 51 51 ALA C C 13 177.601 0.014 . 1 . . . . . 51 ALA C . 53788 1 207 . 1 . 1 51 51 ALA CA C 13 52.288 0.049 . 1 . . . . . 51 ALA CA . 53788 1 208 . 1 . 1 51 51 ALA CB C 13 20.576 0.040 . 1 . . . . . 51 ALA CB . 53788 1 209 . 1 . 1 51 51 ALA N N 15 117.566 0.053 . 1 . . . . . 51 ALA N . 53788 1 210 . 1 . 1 52 52 GLY H H 1 7.524 0.004 . 1 . . . . . 52 GLY H . 53788 1 211 . 1 . 1 52 52 GLY C C 13 174.960 0.002 . 1 . . . . . 52 GLY C . 53788 1 212 . 1 . 1 52 52 GLY CA C 13 45.342 0.037 . 1 . . . . . 52 GLY CA . 53788 1 213 . 1 . 1 52 52 GLY N N 15 103.494 0.020 . 1 . . . . . 52 GLY N . 53788 1 214 . 1 . 1 53 53 LEU H H 1 7.425 0.002 . 1 . . . . . 53 LEU H . 53788 1 215 . 1 . 1 53 53 LEU C C 13 174.776 0.032 . 1 . . . . . 53 LEU C . 53788 1 216 . 1 . 1 53 53 LEU CA C 13 55.471 0.098 . 1 . . . . . 53 LEU CA . 53788 1 217 . 1 . 1 53 53 LEU CB C 13 41.979 0.000 . 1 . . . . . 53 LEU CB . 53788 1 218 . 1 . 1 53 53 LEU N N 15 120.733 0.017 . 1 . . . . . 53 LEU N . 53788 1 219 . 1 . 1 54 54 LEU H H 1 8.567 0.002 . 1 . . . . . 54 LEU H . 53788 1 220 . 1 . 1 54 54 LEU C C 13 176.370 0.005 . 1 . . . . . 54 LEU C . 53788 1 221 . 1 . 1 54 54 LEU CA C 13 53.092 0.000 . 1 . . . . . 54 LEU CA . 53788 1 222 . 1 . 1 54 54 LEU CB C 13 45.924 0.000 . 1 . . . . . 54 LEU CB . 53788 1 223 . 1 . 1 54 54 LEU N N 15 122.143 0.061 . 1 . . . . . 54 LEU N . 53788 1 224 . 1 . 1 55 55 ALA H H 1 8.512 0.003 . 1 . . . . . 55 ALA H . 53788 1 225 . 1 . 1 55 55 ALA C C 13 179.070 0.008 . 1 . . . . . 55 ALA C . 53788 1 226 . 1 . 1 55 55 ALA CA C 13 53.330 0.082 . 1 . . . . . 55 ALA CA . 53788 1 227 . 1 . 1 55 55 ALA CB C 13 17.351 0.029 . 1 . . . . . 55 ALA CB . 53788 1 228 . 1 . 1 55 55 ALA N N 15 122.640 0.015 . 1 . . . . . 55 ALA N . 53788 1 229 . 1 . 1 56 56 GLY H H 1 9.408 0.009 . 1 . . . . . 56 GLY H . 53788 1 230 . 1 . 1 56 56 GLY C C 13 174.564 0.001 . 1 . . . . . 56 GLY C . 53788 1 231 . 1 . 1 56 56 GLY CA C 13 44.670 0.047 . 1 . . . . . 56 GLY CA . 53788 1 232 . 1 . 1 56 56 GLY N N 15 112.612 0.026 . 1 . . . . . 56 GLY N . 53788 1 233 . 1 . 1 57 57 ASP H H 1 7.915 0.003 . 1 . . . . . 57 ASP H . 53788 1 234 . 1 . 1 57 57 ASP C C 13 174.758 0.000 . 1 . . . . . 57 ASP C . 53788 1 235 . 1 . 1 57 57 ASP CA C 13 55.477 0.022 . 1 . . . . . 57 ASP CA . 53788 1 236 . 1 . 1 57 57 ASP CB C 13 42.299 0.000 . 1 . . . . . 57 ASP CB . 53788 1 237 . 1 . 1 57 57 ASP N N 15 121.688 0.031 . 1 . . . . . 57 ASP N . 53788 1 238 . 1 . 1 58 58 ARG C C 13 175.591 0.013 . 1 . . . . . 58 ARG C . 53788 1 239 . 1 . 1 58 58 ARG CA C 13 54.997 0.000 . 1 . . . . . 58 ARG CA . 53788 1 240 . 1 . 1 58 58 ARG CB C 13 32.817 0.030 . 1 . . . . . 58 ARG CB . 53788 1 241 . 1 . 1 59 59 LEU H H 1 8.030 0.009 . 1 . . . . . 59 LEU H . 53788 1 242 . 1 . 1 59 59 LEU C C 13 174.539 0.014 . 1 . . . . . 59 LEU C . 53788 1 243 . 1 . 1 59 59 LEU CA C 13 55.467 0.113 . 1 . . . . . 59 LEU CA . 53788 1 244 . 1 . 1 59 59 LEU CB C 13 42.734 0.031 . 1 . . . . . 59 LEU CB . 53788 1 245 . 1 . 1 59 59 LEU N N 15 126.401 0.120 . 1 . . . . . 59 LEU N . 53788 1 246 . 1 . 1 60 60 VAL H H 1 8.752 0.006 . 1 . . . . . 60 VAL H . 53788 1 247 . 1 . 1 60 60 VAL C C 13 176.026 0.000 . 1 . . . . . 60 VAL C . 53788 1 248 . 1 . 1 60 60 VAL CA C 13 64.119 0.144 . 1 . . . . . 60 VAL CA . 53788 1 249 . 1 . 1 60 60 VAL CB C 13 33.174 0.000 . 1 . . . . . 60 VAL CB . 53788 1 250 . 1 . 1 60 60 VAL N N 15 124.764 0.022 . 1 . . . . . 60 VAL N . 53788 1 251 . 1 . 1 61 61 GLU H H 1 7.357 0.003 . 1 . . . . . 61 GLU H . 53788 1 252 . 1 . 1 61 61 GLU C C 13 175.821 0.003 . 1 . . . . . 61 GLU C . 53788 1 253 . 1 . 1 61 61 GLU CA C 13 54.449 0.071 . 1 . . . . . 61 GLU CA . 53788 1 254 . 1 . 1 61 61 GLU CB C 13 35.174 0.000 . 1 . . . . . 61 GLU CB . 53788 1 255 . 1 . 1 61 61 GLU N N 15 112.944 0.015 . 1 . . . . . 61 GLU N . 53788 1 256 . 1 . 1 62 62 VAL H H 1 8.374 0.006 . 1 . . . . . 62 VAL H . 53788 1 257 . 1 . 1 62 62 VAL C C 13 175.519 0.010 . 1 . . . . . 62 VAL C . 53788 1 258 . 1 . 1 62 62 VAL CA C 13 60.976 0.037 . 1 . . . . . 62 VAL CA . 53788 1 259 . 1 . 1 62 62 VAL CB C 13 33.783 0.150 . 1 . . . . . 62 VAL CB . 53788 1 260 . 1 . 1 62 62 VAL N N 15 118.564 0.031 . 1 . . . . . 62 VAL N . 53788 1 261 . 1 . 1 63 63 ASN H H 1 9.863 0.004 . 1 . . . . . 63 ASN H . 53788 1 262 . 1 . 1 63 63 ASN HD21 H 1 6.522 0.000 . 2 . . . . . 63 ASN HD21 . 53788 1 263 . 1 . 1 63 63 ASN HD22 H 1 7.757 0.003 . 2 . . . . . 63 ASN HD22 . 53788 1 264 . 1 . 1 63 63 ASN C C 13 175.086 0.011 . 1 . . . . . 63 ASN C . 53788 1 265 . 1 . 1 63 63 ASN CA C 13 53.863 0.084 . 1 . . . . . 63 ASN CA . 53788 1 266 . 1 . 1 63 63 ASN CB C 13 36.631 0.042 . 1 . . . . . 63 ASN CB . 53788 1 267 . 1 . 1 63 63 ASN N N 15 128.783 0.070 . 1 . . . . . 63 ASN N . 53788 1 268 . 1 . 1 63 63 ASN ND2 N 15 109.548 0.011 . 1 . . . . . 63 ASN ND2 . 53788 1 269 . 1 . 1 64 64 GLY H H 1 9.248 0.007 . 1 . . . . . 64 GLY H . 53788 1 270 . 1 . 1 64 64 GLY C C 13 173.368 0.000 . 1 . . . . . 64 GLY C . 53788 1 271 . 1 . 1 64 64 GLY CA C 13 45.374 0.054 . 1 . . . . . 64 GLY CA . 53788 1 272 . 1 . 1 64 64 GLY N N 15 103.312 0.022 . 1 . . . . . 64 GLY N . 53788 1 273 . 1 . 1 65 65 GLU H H 1 7.590 0.002 . 1 . . . . . 65 GLU H . 53788 1 274 . 1 . 1 65 65 GLU C C 13 175.043 0.006 . 1 . . . . . 65 GLU C . 53788 1 275 . 1 . 1 65 65 GLU CA C 13 54.272 0.068 . 1 . . . . . 65 GLU CA . 53788 1 276 . 1 . 1 65 65 GLU CB C 13 30.858 0.092 . 1 . . . . . 65 GLU CB . 53788 1 277 . 1 . 1 65 65 GLU N N 15 119.297 0.009 . 1 . . . . . 65 GLU N . 53788 1 278 . 1 . 1 66 66 ASN H H 1 8.855 0.002 . 1 . . . . . 66 ASN H . 53788 1 279 . 1 . 1 66 66 ASN C C 13 176.319 0.053 . 1 . . . . . 66 ASN C . 53788 1 280 . 1 . 1 66 66 ASN CA C 13 55.289 0.092 . 1 . . . . . 66 ASN CA . 53788 1 281 . 1 . 1 66 66 ASN CB C 13 39.774 0.039 . 1 . . . . . 66 ASN CB . 53788 1 282 . 1 . 1 66 66 ASN N N 15 123.535 0.032 . 1 . . . . . 66 ASN N . 53788 1 283 . 1 . 1 67 67 VAL H H 1 8.244 0.005 . 1 . . . . . 67 VAL H . 53788 1 284 . 1 . 1 67 67 VAL C C 13 177.550 0.006 . 1 . . . . . 67 VAL C . 53788 1 285 . 1 . 1 67 67 VAL CA C 13 60.122 0.195 . 1 . . . . . 67 VAL CA . 53788 1 286 . 1 . 1 67 67 VAL CB C 13 31.578 0.102 . 1 . . . . . 67 VAL CB . 53788 1 287 . 1 . 1 67 67 VAL N N 15 117.831 0.076 . 1 . . . . . 67 VAL N . 53788 1 288 . 1 . 1 68 68 GLU H H 1 8.468 0.004 . 1 . . . . . 68 GLU H . 53788 1 289 . 1 . 1 68 68 GLU C C 13 177.420 0.018 . 1 . . . . . 68 GLU C . 53788 1 290 . 1 . 1 68 68 GLU CA C 13 60.271 0.140 . 1 . . . . . 68 GLU CA . 53788 1 291 . 1 . 1 68 68 GLU CB C 13 31.254 0.000 . 1 . . . . . 68 GLU CB . 53788 1 292 . 1 . 1 68 68 GLU N N 15 122.771 0.049 . 1 . . . . . 68 GLU N . 53788 1 293 . 1 . 1 69 69 LYS H H 1 8.584 0.004 . 1 . . . . . 69 LYS H . 53788 1 294 . 1 . 1 69 69 LYS C C 13 176.567 0.011 . 1 . . . . . 69 LYS C . 53788 1 295 . 1 . 1 69 69 LYS CA C 13 54.954 0.053 . 1 . . . . . 69 LYS CA . 53788 1 296 . 1 . 1 69 69 LYS CB C 13 32.034 0.037 . 1 . . . . . 69 LYS CB . 53788 1 297 . 1 . 1 69 69 LYS N N 15 114.048 0.045 . 1 . . . . . 69 LYS N . 53788 1 298 . 1 . 1 70 70 GLU H H 1 7.000 0.001 . 1 . . . . . 70 GLU H . 53788 1 299 . 1 . 1 70 70 GLU C C 13 176.835 0.015 . 1 . . . . . 70 GLU C . 53788 1 300 . 1 . 1 70 70 GLU CA C 13 56.653 0.075 . 1 . . . . . 70 GLU CA . 53788 1 301 . 1 . 1 70 70 GLU CB C 13 31.635 0.043 . 1 . . . . . 70 GLU CB . 53788 1 302 . 1 . 1 70 70 GLU N N 15 119.927 0.012 . 1 . . . . . 70 GLU N . 53788 1 303 . 1 . 1 71 71 THR H H 1 8.645 0.008 . 1 . . . . . 71 THR H . 53788 1 304 . 1 . 1 71 71 THR C C 13 174.953 0.011 . 1 . . . . . 71 THR C . 53788 1 305 . 1 . 1 71 71 THR CA C 13 60.601 0.029 . 1 . . . . . 71 THR CA . 53788 1 306 . 1 . 1 71 71 THR CB C 13 71.599 0.061 . 1 . . . . . 71 THR CB . 53788 1 307 . 1 . 1 71 71 THR N N 15 110.652 0.066 . 1 . . . . . 71 THR N . 53788 1 308 . 1 . 1 72 72 HIS H H 1 9.016 0.009 . 1 . . . . . 72 HIS H . 53788 1 309 . 1 . 1 72 72 HIS C C 13 176.134 0.013 . 1 . . . . . 72 HIS C . 53788 1 310 . 1 . 1 72 72 HIS CA C 13 61.077 0.120 . 1 . . . . . 72 HIS CA . 53788 1 311 . 1 . 1 72 72 HIS CB C 13 29.486 0.158 . 1 . . . . . 72 HIS CB . 53788 1 312 . 1 . 1 72 72 HIS N N 15 119.636 0.026 . 1 . . . . . 72 HIS N . 53788 1 313 . 1 . 1 73 73 GLN H H 1 8.568 0.002 . 1 . . . . . 73 GLN H . 53788 1 314 . 1 . 1 73 73 GLN HE21 H 1 6.690 0.004 . 2 . . . . . 73 GLN HE21 . 53788 1 315 . 1 . 1 73 73 GLN HE22 H 1 7.237 0.001 . 2 . . . . . 73 GLN HE22 . 53788 1 316 . 1 . 1 73 73 GLN C C 13 179.115 0.006 . 1 . . . . . 73 GLN C . 53788 1 317 . 1 . 1 73 73 GLN CA C 13 59.198 0.068 . 1 . . . . . 73 GLN CA . 53788 1 318 . 1 . 1 73 73 GLN CB C 13 27.970 0.076 . 1 . . . . . 73 GLN CB . 53788 1 319 . 1 . 1 73 73 GLN CG C 13 33.854 0.071 . 1 . . . . . 73 GLN CG . 53788 1 320 . 1 . 1 73 73 GLN CD C 13 180.274 0.009 . 1 . . . . . 73 GLN CD . 53788 1 321 . 1 . 1 73 73 GLN N N 15 115.052 0.017 . 1 . . . . . 73 GLN N . 53788 1 322 . 1 . 1 73 73 GLN NE2 N 15 111.427 0.078 . 1 . . . . . 73 GLN NE2 . 53788 1 323 . 1 . 1 74 74 GLN H H 1 7.620 0.005 . 1 . . . . . 74 GLN H . 53788 1 324 . 1 . 1 74 74 GLN HE21 H 1 6.768 0.000 . 2 . . . . . 74 GLN HE21 . 53788 1 325 . 1 . 1 74 74 GLN HE22 H 1 7.352 0.000 . 2 . . . . . 74 GLN HE22 . 53788 1 326 . 1 . 1 74 74 GLN C C 13 179.208 0.012 . 1 . . . . . 74 GLN C . 53788 1 327 . 1 . 1 74 74 GLN CA C 13 58.987 0.039 . 1 . . . . . 74 GLN CA . 53788 1 328 . 1 . 1 74 74 GLN CB C 13 29.200 0.035 . 1 . . . . . 74 GLN CB . 53788 1 329 . 1 . 1 74 74 GLN N N 15 119.697 0.025 . 1 . . . . . 74 GLN N . 53788 1 330 . 1 . 1 74 74 GLN NE2 N 15 111.309 0.002 . 1 . . . . . 74 GLN NE2 . 53788 1 331 . 1 . 1 75 75 VAL H H 1 8.297 0.008 . 1 . . . . . 75 VAL H . 53788 1 332 . 1 . 1 75 75 VAL C C 13 178.101 0.000 . 1 . . . . . 75 VAL C . 53788 1 333 . 1 . 1 75 75 VAL CA C 13 67.881 0.148 . 1 . . . . . 75 VAL CA . 53788 1 334 . 1 . 1 75 75 VAL CB C 13 31.261 0.029 . 1 . . . . . 75 VAL CB . 53788 1 335 . 1 . 1 75 75 VAL N N 15 120.985 0.028 . 1 . . . . . 75 VAL N . 53788 1 336 . 1 . 1 76 76 VAL H H 1 8.465 0.006 . 1 . . . . . 76 VAL H . 53788 1 337 . 1 . 1 76 76 VAL C C 13 178.786 0.021 . 1 . . . . . 76 VAL C . 53788 1 338 . 1 . 1 76 76 VAL CA C 13 67.177 0.091 . 1 . . . . . 76 VAL CA . 53788 1 339 . 1 . 1 76 76 VAL CB C 13 31.307 0.060 . 1 . . . . . 76 VAL CB . 53788 1 340 . 1 . 1 76 76 VAL N N 15 119.166 0.038 . 1 . . . . . 76 VAL N . 53788 1 341 . 1 . 1 77 77 SER H H 1 7.851 0.005 . 1 . . . . . 77 SER H . 53788 1 342 . 1 . 1 77 77 SER C C 13 176.837 0.007 . 1 . . . . . 77 SER C . 53788 1 343 . 1 . 1 77 77 SER CA C 13 62.417 0.062 . 1 . . . . . 77 SER CA . 53788 1 344 . 1 . 1 77 77 SER N N 15 115.258 0.074 . 1 . . . . . 77 SER N . 53788 1 345 . 1 . 1 78 78 ARG H H 1 7.508 0.003 . 1 . . . . . 78 ARG H . 53788 1 346 . 1 . 1 78 78 ARG HE H 1 9.560 0.001 . 1 . . . . . 78 ARG HE . 53788 1 347 . 1 . 1 78 78 ARG C C 13 179.300 0.002 . 1 . . . . . 78 ARG C . 53788 1 348 . 1 . 1 78 78 ARG CA C 13 59.271 0.089 . 1 . . . . . 78 ARG CA . 53788 1 349 . 1 . 1 78 78 ARG CB C 13 30.648 0.045 . 1 . . . . . 78 ARG CB . 53788 1 350 . 1 . 1 78 78 ARG CG C 13 28.263 0.000 . 1 . . . . . 78 ARG CG . 53788 1 351 . 1 . 1 78 78 ARG CD C 13 43.770 0.044 . 1 . . . . . 78 ARG CD . 53788 1 352 . 1 . 1 78 78 ARG CZ C 13 159.893 0.000 . 1 . . . . . 78 ARG CZ . 53788 1 353 . 1 . 1 78 78 ARG N N 15 121.336 0.056 . 1 . . . . . 78 ARG N . 53788 1 354 . 1 . 1 78 78 ARG NE N 15 85.422 0.025 . 1 . . . . . 78 ARG NE . 53788 1 355 . 1 . 1 79 79 ILE H H 1 7.761 0.003 . 1 . . . . . 79 ILE H . 53788 1 356 . 1 . 1 79 79 ILE C C 13 178.356 0.009 . 1 . . . . . 79 ILE C . 53788 1 357 . 1 . 1 79 79 ILE CA C 13 64.616 0.039 . 1 . . . . . 79 ILE CA . 53788 1 358 . 1 . 1 79 79 ILE CB C 13 37.499 0.147 . 1 . . . . . 79 ILE CB . 53788 1 359 . 1 . 1 79 79 ILE N N 15 119.293 0.031 . 1 . . . . . 79 ILE N . 53788 1 360 . 1 . 1 80 80 ARG H H 1 8.392 0.006 . 1 . . . . . 80 ARG H . 53788 1 361 . 1 . 1 80 80 ARG HE H 1 7.179 0.001 . 1 . . . . . 80 ARG HE . 53788 1 362 . 1 . 1 80 80 ARG C C 13 177.601 0.001 . 1 . . . . . 80 ARG C . 53788 1 363 . 1 . 1 80 80 ARG CA C 13 58.864 0.058 . 1 . . . . . 80 ARG CA . 53788 1 364 . 1 . 1 80 80 ARG CB C 13 30.188 0.005 . 1 . . . . . 80 ARG CB . 53788 1 365 . 1 . 1 80 80 ARG CD C 13 44.086 0.000 . 1 . . . . . 80 ARG CD . 53788 1 366 . 1 . 1 80 80 ARG CZ C 13 159.325 0.000 . 1 . . . . . 80 ARG CZ . 53788 1 367 . 1 . 1 80 80 ARG N N 15 119.443 0.027 . 1 . . . . . 80 ARG N . 53788 1 368 . 1 . 1 80 80 ARG NE N 15 85.174 0.051 . 1 . . . . . 80 ARG NE . 53788 1 369 . 1 . 1 81 81 ALA H H 1 7.403 0.010 . 1 . . . . . 81 ALA H . 53788 1 370 . 1 . 1 81 81 ALA C C 13 177.478 0.007 . 1 . . . . . 81 ALA C . 53788 1 371 . 1 . 1 81 81 ALA CA C 13 53.058 0.071 . 1 . . . . . 81 ALA CA . 53788 1 372 . 1 . 1 81 81 ALA CB C 13 18.791 0.024 . 1 . . . . . 81 ALA CB . 53788 1 373 . 1 . 1 81 81 ALA N N 15 118.742 0.042 . 1 . . . . . 81 ALA N . 53788 1 374 . 1 . 1 82 82 ALA H H 1 7.183 0.003 . 1 . . . . . 82 ALA H . 53788 1 375 . 1 . 1 82 82 ALA C C 13 177.482 0.000 . 1 . . . . . 82 ALA C . 53788 1 376 . 1 . 1 82 82 ALA CA C 13 51.814 0.037 . 1 . . . . . 82 ALA CA . 53788 1 377 . 1 . 1 82 82 ALA CB C 13 17.731 0.000 . 1 . . . . . 82 ALA CB . 53788 1 378 . 1 . 1 82 82 ALA N N 15 121.883 0.017 . 1 . . . . . 82 ALA N . 53788 1 379 . 1 . 1 83 83 LEU C C 13 177.365 0.005 . 1 . . . . . 83 LEU C . 53788 1 380 . 1 . 1 83 83 LEU CA C 13 57.221 0.067 . 1 . . . . . 83 LEU CA . 53788 1 381 . 1 . 1 83 83 LEU CB C 13 41.534 0.025 . 1 . . . . . 83 LEU CB . 53788 1 382 . 1 . 1 84 84 ASN H H 1 8.554 0.001 . 1 . . . . . 84 ASN H . 53788 1 383 . 1 . 1 84 84 ASN HD21 H 1 6.899 0.002 . 2 . . . . . 84 ASN HD21 . 53788 1 384 . 1 . 1 84 84 ASN HD22 H 1 7.577 0.001 . 2 . . . . . 84 ASN HD22 . 53788 1 385 . 1 . 1 84 84 ASN C C 13 173.740 0.006 . 1 . . . . . 84 ASN C . 53788 1 386 . 1 . 1 84 84 ASN CA C 13 54.680 0.090 . 1 . . . . . 84 ASN CA . 53788 1 387 . 1 . 1 84 84 ASN CB C 13 39.965 0.038 . 1 . . . . . 84 ASN CB . 53788 1 388 . 1 . 1 84 84 ASN CG C 13 176.919 0.009 . 1 . . . . . 84 ASN CG . 53788 1 389 . 1 . 1 84 84 ASN N N 15 114.739 0.015 . 1 . . . . . 84 ASN N . 53788 1 390 . 1 . 1 84 84 ASN ND2 N 15 113.004 0.041 . 1 . . . . . 84 ASN ND2 . 53788 1 391 . 1 . 1 85 85 ALA H H 1 7.844 0.003 . 1 . . . . . 85 ALA H . 53788 1 392 . 1 . 1 85 85 ALA C C 13 175.917 0.009 . 1 . . . . . 85 ALA C . 53788 1 393 . 1 . 1 85 85 ALA CA C 13 52.331 0.052 . 1 . . . . . 85 ALA CA . 53788 1 394 . 1 . 1 85 85 ALA CB C 13 21.650 0.076 . 1 . . . . . 85 ALA CB . 53788 1 395 . 1 . 1 85 85 ALA N N 15 123.923 0.040 . 1 . . . . . 85 ALA N . 53788 1 396 . 1 . 1 86 86 VAL H H 1 8.452 0.003 . 1 . . . . . 86 VAL H . 53788 1 397 . 1 . 1 86 86 VAL C C 13 172.079 0.004 . 1 . . . . . 86 VAL C . 53788 1 398 . 1 . 1 86 86 VAL CA C 13 60.012 0.112 . 1 . . . . . 86 VAL CA . 53788 1 399 . 1 . 1 86 86 VAL CB C 13 35.293 0.010 . 1 . . . . . 86 VAL CB . 53788 1 400 . 1 . 1 86 86 VAL N N 15 116.173 0.021 . 1 . . . . . 86 VAL N . 53788 1 401 . 1 . 1 87 87 ARG H H 1 8.266 0.006 . 1 . . . . . 87 ARG H . 53788 1 402 . 1 . 1 87 87 ARG C C 13 175.391 0.010 . 1 . . . . . 87 ARG C . 53788 1 403 . 1 . 1 87 87 ARG CA C 13 54.208 0.073 . 1 . . . . . 87 ARG CA . 53788 1 404 . 1 . 1 87 87 ARG CB C 13 31.888 0.058 . 1 . . . . . 87 ARG CB . 53788 1 405 . 1 . 1 87 87 ARG N N 15 125.038 0.035 . 1 . . . . . 87 ARG N . 53788 1 406 . 1 . 1 88 88 LEU H H 1 9.056 0.004 . 1 . . . . . 88 LEU H . 53788 1 407 . 1 . 1 88 88 LEU C C 13 174.046 0.021 . 1 . . . . . 88 LEU C . 53788 1 408 . 1 . 1 88 88 LEU CA C 13 52.544 0.078 . 1 . . . . . 88 LEU CA . 53788 1 409 . 1 . 1 88 88 LEU CB C 13 44.438 0.083 . 1 . . . . . 88 LEU CB . 53788 1 410 . 1 . 1 88 88 LEU N N 15 125.108 0.042 . 1 . . . . . 88 LEU N . 53788 1 411 . 1 . 1 89 89 LEU H H 1 8.504 0.005 . 1 . . . . . 89 LEU H . 53788 1 412 . 1 . 1 89 89 LEU C C 13 175.764 0.006 . 1 . . . . . 89 LEU C . 53788 1 413 . 1 . 1 89 89 LEU CA C 13 53.802 0.074 . 1 . . . . . 89 LEU CA . 53788 1 414 . 1 . 1 89 89 LEU CB C 13 43.523 0.132 . 1 . . . . . 89 LEU CB . 53788 1 415 . 1 . 1 89 89 LEU N N 15 126.842 0.113 . 1 . . . . . 89 LEU N . 53788 1 416 . 1 . 1 90 90 VAL H H 1 8.973 0.007 . 1 . . . . . 90 VAL H . 53788 1 417 . 1 . 1 90 90 VAL C C 13 174.287 0.006 . 1 . . . . . 90 VAL C . 53788 1 418 . 1 . 1 90 90 VAL CA C 13 58.199 0.084 . 1 . . . . . 90 VAL CA . 53788 1 419 . 1 . 1 90 90 VAL CB C 13 37.038 0.172 . 1 . . . . . 90 VAL CB . 53788 1 420 . 1 . 1 90 90 VAL N N 15 119.750 0.059 . 1 . . . . . 90 VAL N . 53788 1 421 . 1 . 1 91 91 VAL H H 1 8.073 0.002 . 1 . . . . . 91 VAL H . 53788 1 422 . 1 . 1 91 91 VAL C C 13 173.633 0.003 . 1 . . . . . 91 VAL C . 53788 1 423 . 1 . 1 91 91 VAL CA C 13 59.277 0.174 . 1 . . . . . 91 VAL CA . 53788 1 424 . 1 . 1 91 91 VAL CB C 13 35.844 0.047 . 1 . . . . . 91 VAL CB . 53788 1 425 . 1 . 1 91 91 VAL N N 15 113.266 0.041 . 1 . . . . . 91 VAL N . 53788 1 426 . 1 . 1 92 92 ASP H H 1 7.871 0.005 . 1 . . . . . 92 ASP H . 53788 1 427 . 1 . 1 92 92 ASP C C 13 173.582 0.000 . 1 . . . . . 92 ASP C . 53788 1 428 . 1 . 1 92 92 ASP CA C 13 53.546 0.017 . 1 . . . . . 92 ASP CA . 53788 1 429 . 1 . 1 92 92 ASP CB C 13 40.226 0.000 . 1 . . . . . 92 ASP CB . 53788 1 430 . 1 . 1 92 92 ASP N N 15 127.301 0.039 . 1 . . . . . 92 ASP N . 53788 1 431 . 1 . 1 93 93 PRO C C 13 179.221 0.000 . 1 . . . . . 93 PRO C . 53788 1 432 . 1 . 1 93 93 PRO CA C 13 66.279 0.027 . 1 . . . . . 93 PRO CA . 53788 1 433 . 1 . 1 93 93 PRO CB C 13 31.266 0.000 . 1 . . . . . 93 PRO CB . 53788 1 434 . 1 . 1 94 94 GLU H H 1 8.068 0.009 . 1 . . . . . 94 GLU H . 53788 1 435 . 1 . 1 94 94 GLU C C 13 179.263 0.019 . 1 . . . . . 94 GLU C . 53788 1 436 . 1 . 1 94 94 GLU CA C 13 59.523 0.051 . 1 . . . . . 94 GLU CA . 53788 1 437 . 1 . 1 94 94 GLU CB C 13 29.490 0.000 . 1 . . . . . 94 GLU CB . 53788 1 438 . 1 . 1 94 94 GLU N N 15 119.643 0.040 . 1 . . . . . 94 GLU N . 53788 1 439 . 1 . 1 95 95 THR H H 1 8.421 0.005 . 1 . . . . . 95 THR H . 53788 1 440 . 1 . 1 95 95 THR C C 13 175.906 0.000 . 1 . . . . . 95 THR C . 53788 1 441 . 1 . 1 95 95 THR CA C 13 66.075 0.150 . 1 . . . . . 95 THR CA . 53788 1 442 . 1 . 1 95 95 THR CB C 13 67.302 0.069 . 1 . . . . . 95 THR CB . 53788 1 443 . 1 . 1 95 95 THR N N 15 120.639 0.052 . 1 . . . . . 95 THR N . 53788 1 444 . 1 . 1 96 96 ASP H H 1 8.415 0.006 . 1 . . . . . 96 ASP H . 53788 1 445 . 1 . 1 96 96 ASP C C 13 178.402 0.036 . 1 . . . . . 96 ASP C . 53788 1 446 . 1 . 1 96 96 ASP CA C 13 56.635 0.120 . 1 . . . . . 96 ASP CA . 53788 1 447 . 1 . 1 96 96 ASP CB C 13 41.530 0.125 . 1 . . . . . 96 ASP CB . 53788 1 448 . 1 . 1 96 96 ASP N N 15 120.358 0.049 . 1 . . . . . 96 ASP N . 53788 1 449 . 1 . 1 97 97 GLU H H 1 7.685 0.002 . 1 . . . . . 97 GLU H . 53788 1 450 . 1 . 1 97 97 GLU C C 13 178.781 0.015 . 1 . . . . . 97 GLU C . 53788 1 451 . 1 . 1 97 97 GLU CA C 13 59.412 0.023 . 1 . . . . . 97 GLU CA . 53788 1 452 . 1 . 1 97 97 GLU CB C 13 29.360 0.059 . 1 . . . . . 97 GLU CB . 53788 1 453 . 1 . 1 97 97 GLU N N 15 117.446 0.014 . 1 . . . . . 97 GLU N . 53788 1 454 . 1 . 1 98 98 GLN H H 1 7.688 0.002 . 1 . . . . . 98 GLN H . 53788 1 455 . 1 . 1 98 98 GLN HE21 H 1 6.768 0.002 . 2 . . . . . 98 GLN HE21 . 53788 1 456 . 1 . 1 98 98 GLN HE22 H 1 7.355 0.001 . 2 . . . . . 98 GLN HE22 . 53788 1 457 . 1 . 1 98 98 GLN C C 13 178.854 0.025 . 1 . . . . . 98 GLN C . 53788 1 458 . 1 . 1 98 98 GLN CA C 13 58.633 0.113 . 1 . . . . . 98 GLN CA . 53788 1 459 . 1 . 1 98 98 GLN CB C 13 28.197 0.079 . 1 . . . . . 98 GLN CB . 53788 1 460 . 1 . 1 98 98 GLN CG C 13 33.493 0.044 . 1 . . . . . 98 GLN CG . 53788 1 461 . 1 . 1 98 98 GLN CD C 13 179.826 0.009 . 1 . . . . . 98 GLN CD . 53788 1 462 . 1 . 1 98 98 GLN N N 15 118.486 0.030 . 1 . . . . . 98 GLN N . 53788 1 463 . 1 . 1 98 98 GLN NE2 N 15 110.792 0.053 . 1 . . . . . 98 GLN NE2 . 53788 1 464 . 1 . 1 99 99 LEU H H 1 8.481 0.002 . 1 . . . . . 99 LEU H . 53788 1 465 . 1 . 1 99 99 LEU C C 13 179.567 0.011 . 1 . . . . . 99 LEU C . 53788 1 466 . 1 . 1 99 99 LEU CA C 13 57.947 0.103 . 1 . . . . . 99 LEU CA . 53788 1 467 . 1 . 1 99 99 LEU CB C 13 40.054 0.057 . 1 . . . . . 99 LEU CB . 53788 1 468 . 1 . 1 99 99 LEU N N 15 119.101 0.052 . 1 . . . . . 99 LEU N . 53788 1 469 . 1 . 1 100 100 GLN H H 1 8.281 0.003 . 1 . . . . . 100 GLN H . 53788 1 470 . 1 . 1 100 100 GLN HE21 H 1 6.863 0.001 . 2 . . . . . 100 GLN HE21 . 53788 1 471 . 1 . 1 100 100 GLN HE22 H 1 7.528 0.001 . 2 . . . . . 100 GLN HE22 . 53788 1 472 . 1 . 1 100 100 GLN C C 13 179.930 0.009 . 1 . . . . . 100 GLN C . 53788 1 473 . 1 . 1 100 100 GLN CA C 13 58.712 0.046 . 1 . . . . . 100 GLN CA . 53788 1 474 . 1 . 1 100 100 GLN CB C 13 28.002 0.043 . 1 . . . . . 100 GLN CB . 53788 1 475 . 1 . 1 100 100 GLN CG C 13 33.829 0.018 . 1 . . . . . 100 GLN CG . 53788 1 476 . 1 . 1 100 100 GLN CD C 13 180.301 0.013 . 1 . . . . . 100 GLN CD . 53788 1 477 . 1 . 1 100 100 GLN N N 15 118.821 0.051 . 1 . . . . . 100 GLN N . 53788 1 478 . 1 . 1 100 100 GLN NE2 N 15 111.733 0.048 . 1 . . . . . 100 GLN NE2 . 53788 1 479 . 1 . 1 101 101 LYS H H 1 7.785 0.002 . 1 . . . . . 101 LYS H . 53788 1 480 . 1 . 1 101 101 LYS C C 13 178.328 0.015 . 1 . . . . . 101 LYS C . 53788 1 481 . 1 . 1 101 101 LYS CA C 13 58.949 0.088 . 1 . . . . . 101 LYS CA . 53788 1 482 . 1 . 1 101 101 LYS CB C 13 32.292 0.126 . 1 . . . . . 101 LYS CB . 53788 1 483 . 1 . 1 101 101 LYS N N 15 120.102 0.031 . 1 . . . . . 101 LYS N . 53788 1 484 . 1 . 1 102 102 LEU H H 1 7.442 0.002 . 1 . . . . . 102 LEU H . 53788 1 485 . 1 . 1 102 102 LEU C C 13 177.505 0.002 . 1 . . . . . 102 LEU C . 53788 1 486 . 1 . 1 102 102 LEU CA C 13 55.163 0.060 . 1 . . . . . 102 LEU CA . 53788 1 487 . 1 . 1 102 102 LEU CB C 13 43.268 0.113 . 1 . . . . . 102 LEU CB . 53788 1 488 . 1 . 1 102 102 LEU N N 15 117.665 0.058 . 1 . . . . . 102 LEU N . 53788 1 489 . 1 . 1 103 103 GLY H H 1 7.854 0.001 . 1 . . . . . 103 GLY H . 53788 1 490 . 1 . 1 103 103 GLY C C 13 174.531 0.012 . 1 . . . . . 103 GLY C . 53788 1 491 . 1 . 1 103 103 GLY CA C 13 45.969 0.086 . 1 . . . . . 103 GLY CA . 53788 1 492 . 1 . 1 103 103 GLY N N 15 108.863 0.026 . 1 . . . . . 103 GLY N . 53788 1 493 . 1 . 1 104 104 VAL H H 1 7.728 0.001 . 1 . . . . . 104 VAL H . 53788 1 494 . 1 . 1 104 104 VAL C C 13 175.184 0.016 . 1 . . . . . 104 VAL C . 53788 1 495 . 1 . 1 104 104 VAL CA C 13 61.797 0.096 . 1 . . . . . 104 VAL CA . 53788 1 496 . 1 . 1 104 104 VAL CB C 13 33.388 0.123 . 1 . . . . . 104 VAL CB . 53788 1 497 . 1 . 1 104 104 VAL N N 15 120.543 0.020 . 1 . . . . . 104 VAL N . 53788 1 498 . 1 . 1 105 105 GLN H H 1 8.241 0.003 . 1 . . . . . 105 GLN H . 53788 1 499 . 1 . 1 105 105 GLN HE21 H 1 7.051 0.000 . 2 . . . . . 105 GLN HE21 . 53788 1 500 . 1 . 1 105 105 GLN HE22 H 1 7.476 0.001 . 2 . . . . . 105 GLN HE22 . 53788 1 501 . 1 . 1 105 105 GLN C C 13 176.099 0.016 . 1 . . . . . 105 GLN C . 53788 1 502 . 1 . 1 105 105 GLN CA C 13 55.194 0.051 . 1 . . . . . 105 GLN CA . 53788 1 503 . 1 . 1 105 105 GLN CB C 13 29.038 0.030 . 1 . . . . . 105 GLN CB . 53788 1 504 . 1 . 1 105 105 GLN CG C 13 33.748 0.002 . 1 . . . . . 105 GLN CG . 53788 1 505 . 1 . 1 105 105 GLN CD C 13 180.089 0.011 . 1 . . . . . 105 GLN CD . 53788 1 506 . 1 . 1 105 105 GLN N N 15 124.926 0.063 . 1 . . . . . 105 GLN N . 53788 1 507 . 1 . 1 105 105 GLN NE2 N 15 113.032 0.007 . 1 . . . . . 105 GLN NE2 . 53788 1 508 . 1 . 1 106 106 VAL H H 1 8.584 0.005 . 1 . . . . . 106 VAL H . 53788 1 509 . 1 . 1 106 106 VAL C C 13 176.087 0.000 . 1 . . . . . 106 VAL C . 53788 1 510 . 1 . 1 106 106 VAL CA C 13 65.002 0.059 . 1 . . . . . 106 VAL CA . 53788 1 511 . 1 . 1 106 106 VAL N N 15 124.820 0.027 . 1 . . . . . 106 VAL N . 53788 1 512 . 1 . 1 108 108 GLU C C 13 178.024 0.000 . 1 . . . . . 108 GLU C . 53788 1 513 . 1 . 1 108 108 GLU CA C 13 59.777 0.000 . 1 . . . . . 108 GLU CA . 53788 1 514 . 1 . 1 108 108 GLU CB C 13 29.533 0.000 . 1 . . . . . 108 GLU CB . 53788 1 515 . 1 . 1 109 109 GLU H H 1 8.701 0.006 . 1 . . . . . 109 GLU H . 53788 1 516 . 1 . 1 109 109 GLU C C 13 177.664 0.013 . 1 . . . . . 109 GLU C . 53788 1 517 . 1 . 1 109 109 GLU CA C 13 58.981 0.085 . 1 . . . . . 109 GLU CA . 53788 1 518 . 1 . 1 109 109 GLU CB C 13 29.210 0.027 . 1 . . . . . 109 GLU CB . 53788 1 519 . 1 . 1 109 109 GLU N N 15 118.119 0.037 . 1 . . . . . 109 GLU N . 53788 1 520 . 1 . 1 110 110 LEU H H 1 7.455 0.006 . 1 . . . . . 110 LEU H . 53788 1 521 . 1 . 1 110 110 LEU C C 13 177.932 0.001 . 1 . . . . . 110 LEU C . 53788 1 522 . 1 . 1 110 110 LEU CA C 13 56.733 0.051 . 1 . . . . . 110 LEU CA . 53788 1 523 . 1 . 1 110 110 LEU CB C 13 42.438 0.104 . 1 . . . . . 110 LEU CB . 53788 1 524 . 1 . 1 110 110 LEU N N 15 118.017 0.049 . 1 . . . . . 110 LEU N . 53788 1 525 . 1 . 1 111 111 LEU H H 1 7.821 0.004 . 1 . . . . . 111 LEU H . 53788 1 526 . 1 . 1 111 111 LEU C C 13 177.664 0.009 . 1 . . . . . 111 LEU C . 53788 1 527 . 1 . 1 111 111 LEU CA C 13 55.783 0.043 . 1 . . . . . 111 LEU CA . 53788 1 528 . 1 . 1 111 111 LEU CB C 13 41.465 0.117 . 1 . . . . . 111 LEU CB . 53788 1 529 . 1 . 1 111 111 LEU N N 15 116.550 0.038 . 1 . . . . . 111 LEU N . 53788 1 530 . 1 . 1 112 112 ARG H H 1 7.497 0.003 . 1 . . . . . 112 ARG H . 53788 1 531 . 1 . 1 112 112 ARG HE H 1 7.380 0.001 . 1 . . . . . 112 ARG HE . 53788 1 532 . 1 . 1 112 112 ARG C C 13 176.334 0.015 . 1 . . . . . 112 ARG C . 53788 1 533 . 1 . 1 112 112 ARG CA C 13 56.383 0.083 . 1 . . . . . 112 ARG CA . 53788 1 534 . 1 . 1 112 112 ARG CB C 13 30.522 0.071 . 1 . . . . . 112 ARG CB . 53788 1 535 . 1 . 1 112 112 ARG CD C 13 43.541 0.000 . 1 . . . . . 112 ARG CD . 53788 1 536 . 1 . 1 112 112 ARG CZ C 13 159.595 0.000 . 1 . . . . . 112 ARG CZ . 53788 1 537 . 1 . 1 112 112 ARG N N 15 118.976 0.035 . 1 . . . . . 112 ARG N . 53788 1 538 . 1 . 1 112 112 ARG NE N 15 83.576 0.036 . 1 . . . . . 112 ARG NE . 53788 1 539 . 1 . 1 113 113 ALA H H 1 7.892 0.002 . 1 . . . . . 113 ALA H . 53788 1 540 . 1 . 1 113 113 ALA C C 13 177.746 0.009 . 1 . . . . . 113 ALA C . 53788 1 541 . 1 . 1 113 113 ALA CA C 13 52.804 0.080 . 1 . . . . . 113 ALA CA . 53788 1 542 . 1 . 1 113 113 ALA CB C 13 18.930 0.048 . 1 . . . . . 113 ALA CB . 53788 1 543 . 1 . 1 113 113 ALA N N 15 123.731 0.013 . 1 . . . . . 113 ALA N . 53788 1 544 . 1 . 1 114 114 GLN H H 1 8.101 0.003 . 1 . . . . . 114 GLN H . 53788 1 545 . 1 . 1 114 114 GLN C C 13 175.834 0.001 . 1 . . . . . 114 GLN C . 53788 1 546 . 1 . 1 114 114 GLN CA C 13 55.700 0.105 . 1 . . . . . 114 GLN CA . 53788 1 547 . 1 . 1 114 114 GLN CB C 13 29.480 0.008 . 1 . . . . . 114 GLN CB . 53788 1 548 . 1 . 1 114 114 GLN N N 15 118.543 0.019 . 1 . . . . . 114 GLN N . 53788 1 549 . 1 . 1 115 115 GLU H H 1 8.168 0.001 . 1 . . . . . 115 GLU H . 53788 1 550 . 1 . 1 115 115 GLU C C 13 175.701 0.010 . 1 . . . . . 115 GLU C . 53788 1 551 . 1 . 1 115 115 GLU CA C 13 56.259 0.122 . 1 . . . . . 115 GLU CA . 53788 1 552 . 1 . 1 115 115 GLU CB C 13 30.413 0.025 . 1 . . . . . 115 GLU CB . 53788 1 553 . 1 . 1 115 115 GLU N N 15 121.488 0.040 . 1 . . . . . 115 GLU N . 53788 1 554 . 1 . 1 116 116 ALA H H 1 8.238 0.001 . 1 . . . . . 116 ALA H . 53788 1 555 . 1 . 1 116 116 ALA C C 13 175.306 0.000 . 1 . . . . . 116 ALA C . 53788 1 556 . 1 . 1 116 116 ALA CA C 13 50.368 0.030 . 1 . . . . . 116 ALA CA . 53788 1 557 . 1 . 1 116 116 ALA CB C 13 18.155 0.000 . 1 . . . . . 116 ALA CB . 53788 1 558 . 1 . 1 116 116 ALA N N 15 126.236 0.012 . 1 . . . . . 116 ALA N . 53788 1 559 . 1 . 1 117 117 PRO C C 13 177.608 0.005 . 1 . . . . . 117 PRO C . 53788 1 560 . 1 . 1 117 117 PRO CA C 13 63.240 0.044 . 1 . . . . . 117 PRO CA . 53788 1 561 . 1 . 1 117 117 PRO CB C 13 31.871 0.073 . 1 . . . . . 117 PRO CB . 53788 1 562 . 1 . 1 118 118 GLY H H 1 8.400 0.002 . 1 . . . . . 118 GLY H . 53788 1 563 . 1 . 1 118 118 GLY C C 13 173.985 0.011 . 1 . . . . . 118 GLY C . 53788 1 564 . 1 . 1 118 118 GLY CA C 13 45.219 0.052 . 1 . . . . . 118 GLY CA . 53788 1 565 . 1 . 1 118 118 GLY N N 15 109.105 0.037 . 1 . . . . . 118 GLY N . 53788 1 566 . 1 . 1 119 119 GLN H H 1 8.078 0.002 . 1 . . . . . 119 GLN H . 53788 1 567 . 1 . 1 119 119 GLN C C 13 175.431 0.013 . 1 . . . . . 119 GLN C . 53788 1 568 . 1 . 1 119 119 GLN CA C 13 55.520 0.036 . 1 . . . . . 119 GLN CA . 53788 1 569 . 1 . 1 119 119 GLN CB C 13 29.651 0.027 . 1 . . . . . 119 GLN CB . 53788 1 570 . 1 . 1 119 119 GLN N N 15 119.669 0.014 . 1 . . . . . 119 GLN N . 53788 1 571 . 1 . 1 120 120 ALA H H 1 8.279 0.004 . 1 . . . . . 120 ALA H . 53788 1 572 . 1 . 1 120 120 ALA C C 13 177.286 0.006 . 1 . . . . . 120 ALA C . 53788 1 573 . 1 . 1 120 120 ALA CA C 13 52.160 0.134 . 1 . . . . . 120 ALA CA . 53788 1 574 . 1 . 1 120 120 ALA CB C 13 19.205 0.045 . 1 . . . . . 120 ALA CB . 53788 1 575 . 1 . 1 120 120 ALA N N 15 125.515 0.037 . 1 . . . . . 120 ALA N . 53788 1 576 . 1 . 1 121 121 GLU H H 1 8.267 0.002 . 1 . . . . . 121 GLU H . 53788 1 577 . 1 . 1 121 121 GLU C C 13 177.297 0.000 . 1 . . . . . 121 GLU C . 53788 1 578 . 1 . 1 121 121 GLU CA C 13 54.321 0.138 . 1 . . . . . 121 GLU CA . 53788 1 579 . 1 . 1 121 121 GLU CB C 13 29.528 0.000 . 1 . . . . . 121 GLU CB . 53788 1 580 . 1 . 1 121 121 GLU N N 15 121.734 0.016 . 1 . . . . . 121 GLU N . 53788 1 581 . 1 . 1 123 123 PRO C C 13 176.547 0.004 . 1 . . . . . 123 PRO C . 53788 1 582 . 1 . 1 123 123 PRO CA C 13 62.706 0.031 . 1 . . . . . 123 PRO CA . 53788 1 583 . 1 . 1 123 123 PRO CB C 13 32.015 0.093 . 1 . . . . . 123 PRO CB . 53788 1 584 . 1 . 1 124 124 ALA H H 1 8.282 0.002 . 1 . . . . . 124 ALA H . 53788 1 585 . 1 . 1 124 124 ALA C C 13 177.528 0.001 . 1 . . . . . 124 ALA C . 53788 1 586 . 1 . 1 124 124 ALA CA C 13 52.182 0.046 . 1 . . . . . 124 ALA CA . 53788 1 587 . 1 . 1 124 124 ALA CB C 13 19.127 0.016 . 1 . . . . . 124 ALA CB . 53788 1 588 . 1 . 1 124 124 ALA N N 15 124.427 0.012 . 1 . . . . . 124 ALA N . 53788 1 589 . 1 . 1 125 125 ALA H H 1 8.209 0.002 . 1 . . . . . 125 ALA H . 53788 1 590 . 1 . 1 125 125 ALA C C 13 177.395 0.013 . 1 . . . . . 125 ALA C . 53788 1 591 . 1 . 1 125 125 ALA CA C 13 52.274 0.064 . 1 . . . . . 125 ALA CA . 53788 1 592 . 1 . 1 125 125 ALA CB C 13 19.136 0.000 . 1 . . . . . 125 ALA CB . 53788 1 593 . 1 . 1 125 125 ALA N N 15 123.647 0.006 . 1 . . . . . 125 ALA N . 53788 1 594 . 1 . 1 126 126 ALA H H 1 8.167 0.001 . 1 . . . . . 126 ALA H . 53788 1 595 . 1 . 1 126 126 ALA C C 13 177.705 0.008 . 1 . . . . . 126 ALA C . 53788 1 596 . 1 . 1 126 126 ALA CA C 13 52.355 0.051 . 1 . . . . . 126 ALA CA . 53788 1 597 . 1 . 1 126 126 ALA CB C 13 19.194 0.021 . 1 . . . . . 126 ALA CB . 53788 1 598 . 1 . 1 126 126 ALA N N 15 123.159 0.014 . 1 . . . . . 126 ALA N . 53788 1 599 . 1 . 1 127 127 GLU H H 1 8.268 0.000 . 1 . . . . . 127 GLU H . 53788 1 600 . 1 . 1 127 127 GLU C C 13 176.471 0.015 . 1 . . . . . 127 GLU C . 53788 1 601 . 1 . 1 127 127 GLU CA C 13 56.475 0.091 . 1 . . . . . 127 GLU CA . 53788 1 602 . 1 . 1 127 127 GLU CB C 13 30.232 0.004 . 1 . . . . . 127 GLU CB . 53788 1 603 . 1 . 1 127 127 GLU N N 15 120.154 0.010 . 1 . . . . . 127 GLU N . 53788 1 604 . 1 . 1 128 128 VAL H H 1 8.104 0.002 . 1 . . . . . 128 VAL H . 53788 1 605 . 1 . 1 128 128 VAL C C 13 176.111 0.010 . 1 . . . . . 128 VAL C . 53788 1 606 . 1 . 1 128 128 VAL CA C 13 62.298 0.112 . 1 . . . . . 128 VAL CA . 53788 1 607 . 1 . 1 128 128 VAL CB C 13 32.714 0.087 . 1 . . . . . 128 VAL CB . 53788 1 608 . 1 . 1 128 128 VAL N N 15 121.655 0.037 . 1 . . . . . 128 VAL N . 53788 1 609 . 1 . 1 129 129 GLN H H 1 8.425 0.001 . 1 . . . . . 129 GLN H . 53788 1 610 . 1 . 1 129 129 GLN HE21 H 1 6.766 0.001 . 2 . . . . . 129 GLN HE21 . 53788 1 611 . 1 . 1 129 129 GLN HE22 H 1 7.449 0.000 . 2 . . . . . 129 GLN HE22 . 53788 1 612 . 1 . 1 129 129 GLN C C 13 176.411 0.010 . 1 . . . . . 129 GLN C . 53788 1 613 . 1 . 1 129 129 GLN CA C 13 55.870 0.056 . 1 . . . . . 129 GLN CA . 53788 1 614 . 1 . 1 129 129 GLN CB C 13 29.408 0.059 . 1 . . . . . 129 GLN CB . 53788 1 615 . 1 . 1 129 129 GLN CG C 13 33.681 0.030 . 1 . . . . . 129 GLN CG . 53788 1 616 . 1 . 1 129 129 GLN CD C 13 180.360 0.000 . 1 . . . . . 129 GLN CD . 53788 1 617 . 1 . 1 129 129 GLN N N 15 124.560 0.011 . 1 . . . . . 129 GLN N . 53788 1 618 . 1 . 1 129 129 GLN NE2 N 15 111.913 0.028 . 1 . . . . . 129 GLN NE2 . 53788 1 619 . 1 . 1 130 130 GLY H H 1 8.403 0.001 . 1 . . . . . 130 GLY H . 53788 1 620 . 1 . 1 130 130 GLY C C 13 173.716 0.011 . 1 . . . . . 130 GLY C . 53788 1 621 . 1 . 1 130 130 GLY CA C 13 45.180 0.033 . 1 . . . . . 130 GLY CA . 53788 1 622 . 1 . 1 130 130 GLY N N 15 110.786 0.010 . 1 . . . . . 130 GLY N . 53788 1 623 . 1 . 1 131 131 ALA H H 1 8.193 0.003 . 1 . . . . . 131 ALA H . 53788 1 624 . 1 . 1 131 131 ALA C C 13 178.236 0.005 . 1 . . . . . 131 ALA C . 53788 1 625 . 1 . 1 131 131 ALA CA C 13 52.528 0.083 . 1 . . . . . 131 ALA CA . 53788 1 626 . 1 . 1 131 131 ALA CB C 13 19.247 0.030 . 1 . . . . . 131 ALA CB . 53788 1 627 . 1 . 1 131 131 ALA N N 15 123.743 0.012 . 1 . . . . . 131 ALA N . 53788 1 628 . 1 . 1 132 132 GLY H H 1 8.409 0.001 . 1 . . . . . 132 GLY H . 53788 1 629 . 1 . 1 132 132 GLY C C 13 173.965 0.011 . 1 . . . . . 132 GLY C . 53788 1 630 . 1 . 1 132 132 GLY CA C 13 45.235 0.033 . 1 . . . . . 132 GLY CA . 53788 1 631 . 1 . 1 132 132 GLY N N 15 108.203 0.004 . 1 . . . . . 132 GLY N . 53788 1 632 . 1 . 1 133 133 ASN H H 1 8.241 0.001 . 1 . . . . . 133 ASN H . 53788 1 633 . 1 . 1 133 133 ASN C C 13 175.506 0.006 . 1 . . . . . 133 ASN C . 53788 1 634 . 1 . 1 133 133 ASN CA C 13 53.126 0.064 . 1 . . . . . 133 ASN CA . 53788 1 635 . 1 . 1 133 133 ASN CB C 13 39.046 0.056 . 1 . . . . . 133 ASN CB . 53788 1 636 . 1 . 1 133 133 ASN N N 15 118.484 0.006 . 1 . . . . . 133 ASN N . 53788 1 637 . 1 . 1 134 134 GLU H H 1 8.604 0.001 . 1 . . . . . 134 GLU H . 53788 1 638 . 1 . 1 134 134 GLU C C 13 176.251 0.010 . 1 . . . . . 134 GLU C . 53788 1 639 . 1 . 1 134 134 GLU CA C 13 57.194 0.038 . 1 . . . . . 134 GLU CA . 53788 1 640 . 1 . 1 134 134 GLU CB C 13 29.642 0.093 . 1 . . . . . 134 GLU CB . 53788 1 641 . 1 . 1 134 134 GLU N N 15 121.152 0.010 . 1 . . . . . 134 GLU N . 53788 1 642 . 1 . 1 135 135 ASN H H 1 8.359 0.001 . 1 . . . . . 135 ASN H . 53788 1 643 . 1 . 1 135 135 ASN C C 13 174.722 0.009 . 1 . . . . . 135 ASN C . 53788 1 644 . 1 . 1 135 135 ASN CA C 13 53.210 0.028 . 1 . . . . . 135 ASN CA . 53788 1 645 . 1 . 1 135 135 ASN CB C 13 39.072 0.072 . 1 . . . . . 135 ASN CB . 53788 1 646 . 1 . 1 135 135 ASN N N 15 118.407 0.010 . 1 . . . . . 135 ASN N . 53788 1 647 . 1 . 1 136 136 GLU H H 1 8.021 0.002 . 1 . . . . . 136 GLU H . 53788 1 648 . 1 . 1 136 136 GLU C C 13 174.249 0.000 . 1 . . . . . 136 GLU C . 53788 1 649 . 1 . 1 136 136 GLU CA C 13 54.489 0.112 . 1 . . . . . 136 GLU CA . 53788 1 650 . 1 . 1 136 136 GLU CB C 13 29.712 0.000 . 1 . . . . . 136 GLU CB . 53788 1 651 . 1 . 1 136 136 GLU N N 15 122.043 0.016 . 1 . . . . . 136 GLU N . 53788 1 652 . 1 . 1 137 137 PRO C C 13 176.846 0.006 . 1 . . . . . 137 PRO C . 53788 1 653 . 1 . 1 137 137 PRO CA C 13 63.180 0.026 . 1 . . . . . 137 PRO CA . 53788 1 654 . 1 . 1 137 137 PRO CB C 13 31.823 0.086 . 1 . . . . . 137 PRO CB . 53788 1 655 . 1 . 1 138 138 ARG H H 1 8.418 0.001 . 1 . . . . . 138 ARG H . 53788 1 656 . 1 . 1 138 138 ARG C C 13 176.505 0.007 . 1 . . . . . 138 ARG C . 53788 1 657 . 1 . 1 138 138 ARG CA C 13 55.773 0.035 . 1 . . . . . 138 ARG CA . 53788 1 658 . 1 . 1 138 138 ARG CB C 13 31.021 0.004 . 1 . . . . . 138 ARG CB . 53788 1 659 . 1 . 1 138 138 ARG N N 15 121.677 0.025 . 1 . . . . . 138 ARG N . 53788 1 660 . 1 . 1 139 139 GLU H H 1 8.421 0.001 . 1 . . . . . 139 GLU H . 53788 1 661 . 1 . 1 139 139 GLU C C 13 176.486 0.002 . 1 . . . . . 139 GLU C . 53788 1 662 . 1 . 1 139 139 GLU CA C 13 56.728 0.088 . 1 . . . . . 139 GLU CA . 53788 1 663 . 1 . 1 139 139 GLU CB C 13 30.005 0.150 . 1 . . . . . 139 GLU CB . 53788 1 664 . 1 . 1 139 139 GLU N N 15 122.290 0.027 . 1 . . . . . 139 GLU N . 53788 1 665 . 1 . 1 140 140 ALA H H 1 8.296 0.002 . 1 . . . . . 140 ALA H . 53788 1 666 . 1 . 1 140 140 ALA C C 13 177.501 0.003 . 1 . . . . . 140 ALA C . 53788 1 667 . 1 . 1 140 140 ALA CA C 13 52.738 0.059 . 1 . . . . . 140 ALA CA . 53788 1 668 . 1 . 1 140 140 ALA CB C 13 19.049 0.042 . 1 . . . . . 140 ALA CB . 53788 1 669 . 1 . 1 140 140 ALA N N 15 124.509 0.024 . 1 . . . . . 140 ALA N . 53788 1 670 . 1 . 1 141 141 ASP H H 1 8.178 0.002 . 1 . . . . . 141 ASP H . 53788 1 671 . 1 . 1 141 141 ASP C C 13 176.541 0.001 . 1 . . . . . 141 ASP C . 53788 1 672 . 1 . 1 141 141 ASP CA C 13 54.433 0.113 . 1 . . . . . 141 ASP CA . 53788 1 673 . 1 . 1 141 141 ASP CB C 13 41.062 0.113 . 1 . . . . . 141 ASP CB . 53788 1 674 . 1 . 1 141 141 ASP N N 15 119.146 0.022 . 1 . . . . . 141 ASP N . 53788 1 675 . 1 . 1 142 142 LYS H H 1 8.144 0.001 . 1 . . . . . 142 LYS H . 53788 1 676 . 1 . 1 142 142 LYS C C 13 176.611 0.011 . 1 . . . . . 142 LYS C . 53788 1 677 . 1 . 1 142 142 LYS CA C 13 56.247 0.059 . 1 . . . . . 142 LYS CA . 53788 1 678 . 1 . 1 142 142 LYS CB C 13 32.695 0.056 . 1 . . . . . 142 LYS CB . 53788 1 679 . 1 . 1 142 142 LYS N N 15 122.074 0.012 . 1 . . . . . 142 LYS N . 53788 1 680 . 1 . 1 143 143 SER H H 1 8.172 0.001 . 1 . . . . . 143 SER H . 53788 1 681 . 1 . 1 143 143 SER C C 13 173.815 0.021 . 1 . . . . . 143 SER C . 53788 1 682 . 1 . 1 143 143 SER CA C 13 58.704 0.062 . 1 . . . . . 143 SER CA . 53788 1 683 . 1 . 1 143 143 SER CB C 13 63.670 0.076 . 1 . . . . . 143 SER CB . 53788 1 684 . 1 . 1 143 143 SER N N 15 116.018 0.021 . 1 . . . . . 143 SER N . 53788 1 685 . 1 . 1 144 144 HIS H H 1 8.248 0.003 . 1 . . . . . 144 HIS H . 53788 1 686 . 1 . 1 144 144 HIS C C 13 172.651 0.000 . 1 . . . . . 144 HIS C . 53788 1 687 . 1 . 1 144 144 HIS CA C 13 53.752 0.011 . 1 . . . . . 144 HIS CA . 53788 1 688 . 1 . 1 144 144 HIS CB C 13 29.168 0.000 . 1 . . . . . 144 HIS CB . 53788 1 689 . 1 . 1 144 144 HIS N N 15 120.430 0.039 . 1 . . . . . 144 HIS N . 53788 1 690 . 1 . 1 145 145 PRO C C 13 176.963 0.004 . 1 . . . . . 145 PRO C . 53788 1 691 . 1 . 1 145 145 PRO CA C 13 63.438 0.092 . 1 . . . . . 145 PRO CA . 53788 1 692 . 1 . 1 145 145 PRO CB C 13 32.082 0.111 . 1 . . . . . 145 PRO CB . 53788 1 693 . 1 . 1 146 146 GLU H H 1 8.737 0.001 . 1 . . . . . 146 GLU H . 53788 1 694 . 1 . 1 146 146 GLU C C 13 176.379 0.008 . 1 . . . . . 146 GLU C . 53788 1 695 . 1 . 1 146 146 GLU CA C 13 56.709 0.065 . 1 . . . . . 146 GLU CA . 53788 1 696 . 1 . 1 146 146 GLU CB C 13 29.836 0.068 . 1 . . . . . 146 GLU CB . 53788 1 697 . 1 . 1 146 146 GLU N N 15 121.187 0.007 . 1 . . . . . 146 GLU N . 53788 1 698 . 1 . 1 147 147 GLN H H 1 8.270 0.001 . 1 . . . . . 147 GLN H . 53788 1 699 . 1 . 1 147 147 GLN C C 13 175.347 0.006 . 1 . . . . . 147 GLN C . 53788 1 700 . 1 . 1 147 147 GLN CA C 13 55.486 0.008 . 1 . . . . . 147 GLN CA . 53788 1 701 . 1 . 1 147 147 GLN CB C 13 29.353 0.000 . 1 . . . . . 147 GLN CB . 53788 1 702 . 1 . 1 147 147 GLN N N 15 121.734 0.016 . 1 . . . . . 147 GLN N . 53788 1 703 . 1 . 1 148 148 ARG H H 1 8.170 0.001 . 1 . . . . . 148 ARG H . 53788 1 704 . 1 . 1 148 148 ARG C C 13 175.588 0.015 . 1 . . . . . 148 ARG C . 53788 1 705 . 1 . 1 148 148 ARG CA C 13 55.659 0.003 . 1 . . . . . 148 ARG CA . 53788 1 706 . 1 . 1 148 148 ARG CB C 13 31.214 0.000 . 1 . . . . . 148 ARG CB . 53788 1 707 . 1 . 1 148 148 ARG N N 15 122.959 0.028 . 1 . . . . . 148 ARG N . 53788 1 708 . 1 . 1 149 149 GLU H H 1 8.416 0.001 . 1 . . . . . 149 GLU H . 53788 1 709 . 1 . 1 149 149 GLU C C 13 175.693 0.036 . 1 . . . . . 149 GLU C . 53788 1 710 . 1 . 1 149 149 GLU CA C 13 55.949 0.106 . 1 . . . . . 149 GLU CA . 53788 1 711 . 1 . 1 149 149 GLU CB C 13 30.974 0.048 . 1 . . . . . 149 GLU CB . 53788 1 712 . 1 . 1 149 149 GLU N N 15 122.162 0.028 . 1 . . . . . 149 GLU N . 53788 1 713 . 1 . 1 150 150 LEU H H 1 7.914 0.004 . 1 . . . . . 150 LEU H . 53788 1 714 . 1 . 1 150 150 LEU C C 13 173.002 0.014 . 1 . . . . . 150 LEU C . 53788 1 715 . 1 . 1 150 150 LEU CA C 13 53.848 0.093 . 1 . . . . . 150 LEU CA . 53788 1 716 . 1 . 1 150 150 LEU CB C 13 39.814 0.075 . 1 . . . . . 150 LEU CB . 53788 1 717 . 1 . 1 150 150 LEU N N 15 127.051 0.047 . 1 . . . . . 150 LEU N . 53788 1 718 . 1 . 1 151 151 ARG H H 1 7.125 0.002 . 1 . . . . . 151 ARG H . 53788 1 719 . 1 . 1 151 151 ARG C C 13 175.340 0.000 . 1 . . . . . 151 ARG C . 53788 1 720 . 1 . 1 151 151 ARG CA C 13 52.710 0.020 . 1 . . . . . 151 ARG CA . 53788 1 721 . 1 . 1 151 151 ARG CB C 13 33.094 0.000 . 1 . . . . . 151 ARG CB . 53788 1 722 . 1 . 1 151 151 ARG N N 15 116.304 0.006 . 1 . . . . . 151 ARG N . 53788 1 723 . 1 . 1 152 152 PRO C C 13 173.080 0.010 . 1 . . . . . 152 PRO C . 53788 1 724 . 1 . 1 152 152 PRO CA C 13 62.230 0.137 . 1 . . . . . 152 PRO CA . 53788 1 725 . 1 . 1 152 152 PRO CB C 13 32.208 0.000 . 1 . . . . . 152 PRO CB . 53788 1 726 . 1 . 1 153 153 ARG H H 1 8.384 0.002 . 1 . . . . . 153 ARG H . 53788 1 727 . 1 . 1 153 153 ARG C C 13 173.628 0.010 . 1 . . . . . 153 ARG C . 53788 1 728 . 1 . 1 153 153 ARG CA C 13 54.673 0.102 . 1 . . . . . 153 ARG CA . 53788 1 729 . 1 . 1 153 153 ARG CB C 13 33.225 0.081 . 1 . . . . . 153 ARG CB . 53788 1 730 . 1 . 1 153 153 ARG N N 15 116.301 0.024 . 1 . . . . . 153 ARG N . 53788 1 731 . 1 . 1 154 154 LEU H H 1 8.642 0.002 . 1 . . . . . 154 LEU H . 53788 1 732 . 1 . 1 154 154 LEU C C 13 175.990 0.009 . 1 . . . . . 154 LEU C . 53788 1 733 . 1 . 1 154 154 LEU CA C 13 53.229 0.093 . 1 . . . . . 154 LEU CA . 53788 1 734 . 1 . 1 154 154 LEU CB C 13 43.683 0.049 . 1 . . . . . 154 LEU CB . 53788 1 735 . 1 . 1 154 154 LEU N N 15 124.318 0.039 . 1 . . . . . 154 LEU N . 53788 1 736 . 1 . 1 155 155 CYS H H 1 9.313 0.005 . 1 . . . . . 155 CYS H . 53788 1 737 . 1 . 1 155 155 CYS C C 13 173.646 0.009 . 1 . . . . . 155 CYS C . 53788 1 738 . 1 . 1 155 155 CYS CA C 13 57.811 0.089 . 1 . . . . . 155 CYS CA . 53788 1 739 . 1 . 1 155 155 CYS CB C 13 28.664 0.071 . 1 . . . . . 155 CYS CB . 53788 1 740 . 1 . 1 155 155 CYS N N 15 129.271 0.028 . 1 . . . . . 155 CYS N . 53788 1 741 . 1 . 1 156 156 THR H H 1 8.850 0.002 . 1 . . . . . 156 THR H . 53788 1 742 . 1 . 1 156 156 THR C C 13 173.386 0.011 . 1 . . . . . 156 THR C . 53788 1 743 . 1 . 1 156 156 THR CA C 13 61.488 0.087 . 1 . . . . . 156 THR CA . 53788 1 744 . 1 . 1 156 156 THR CB C 13 69.335 0.052 . 1 . . . . . 156 THR CB . 53788 1 745 . 1 . 1 156 156 THR N N 15 122.731 0.026 . 1 . . . . . 156 THR N . 53788 1 746 . 1 . 1 157 157 MET H H 1 8.780 0.002 . 1 . . . . . 157 MET H . 53788 1 747 . 1 . 1 157 157 MET C C 13 173.113 0.015 . 1 . . . . . 157 MET C . 53788 1 748 . 1 . 1 157 157 MET CA C 13 54.436 0.022 . 1 . . . . . 157 MET CA . 53788 1 749 . 1 . 1 157 157 MET CB C 13 39.072 0.021 . 1 . . . . . 157 MET CB . 53788 1 750 . 1 . 1 157 157 MET N N 15 121.534 0.036 . 1 . . . . . 157 MET N . 53788 1 751 . 1 . 1 158 158 LYS H H 1 8.445 0.002 . 1 . . . . . 158 LYS H . 53788 1 752 . 1 . 1 158 158 LYS C C 13 176.020 0.000 . 1 . . . . . 158 LYS C . 53788 1 753 . 1 . 1 158 158 LYS CA C 13 54.374 0.063 . 1 . . . . . 158 LYS CA . 53788 1 754 . 1 . 1 158 158 LYS CB C 13 34.736 0.000 . 1 . . . . . 158 LYS CB . 53788 1 755 . 1 . 1 158 158 LYS N N 15 122.021 0.051 . 1 . . . . . 158 LYS N . 53788 1 756 . 1 . 1 159 159 LYS H H 1 8.385 0.002 . 1 . . . . . 159 LYS H . 53788 1 757 . 1 . 1 159 159 LYS C C 13 177.065 0.006 . 1 . . . . . 159 LYS C . 53788 1 758 . 1 . 1 159 159 LYS CA C 13 58.555 0.095 . 1 . . . . . 159 LYS CA . 53788 1 759 . 1 . 1 159 159 LYS CB C 13 33.610 0.096 . 1 . . . . . 159 LYS CB . 53788 1 760 . 1 . 1 159 159 LYS N N 15 122.932 0.042 . 1 . . . . . 159 LYS N . 53788 1 761 . 1 . 1 160 160 GLY H H 1 7.100 0.007 . 1 . . . . . 160 GLY H . 53788 1 762 . 1 . 1 160 160 GLY C C 13 173.627 0.000 . 1 . . . . . 160 GLY C . 53788 1 763 . 1 . 1 160 160 GLY CA C 13 44.127 0.043 . 1 . . . . . 160 GLY CA . 53788 1 764 . 1 . 1 160 160 GLY N N 15 111.130 0.028 . 1 . . . . . 160 GLY N . 53788 1 765 . 1 . 1 161 161 PRO C C 13 177.844 0.007 . 1 . . . . . 161 PRO C . 53788 1 766 . 1 . 1 161 161 PRO CA C 13 65.026 0.062 . 1 . . . . . 161 PRO CA . 53788 1 767 . 1 . 1 161 161 PRO CB C 13 32.061 0.164 . 1 . . . . . 161 PRO CB . 53788 1 768 . 1 . 1 162 162 SER H H 1 8.321 0.003 . 1 . . . . . 162 SER H . 53788 1 769 . 1 . 1 162 162 SER C C 13 174.255 0.040 . 1 . . . . . 162 SER C . 53788 1 770 . 1 . 1 162 162 SER CA C 13 56.826 0.142 . 1 . . . . . 162 SER CA . 53788 1 771 . 1 . 1 162 162 SER CB C 13 63.222 0.046 . 1 . . . . . 162 SER CB . 53788 1 772 . 1 . 1 162 162 SER N N 15 111.172 0.027 . 1 . . . . . 162 SER N . 53788 1 773 . 1 . 1 163 163 GLY H H 1 7.628 0.004 . 1 . . . . . 163 GLY H . 53788 1 774 . 1 . 1 163 163 GLY C C 13 175.389 0.000 . 1 . . . . . 163 GLY C . 53788 1 775 . 1 . 1 163 163 GLY CA C 13 44.203 0.030 . 1 . . . . . 163 GLY CA . 53788 1 776 . 1 . 1 163 163 GLY N N 15 108.323 0.018 . 1 . . . . . 163 GLY N . 53788 1 777 . 1 . 1 164 164 TYR C C 13 176.511 0.000 . 1 . . . . . 164 TYR C . 53788 1 778 . 1 . 1 164 164 TYR CA C 13 61.112 0.000 . 1 . . . . . 164 TYR CA . 53788 1 779 . 1 . 1 165 165 GLY H H 1 8.455 0.007 . 1 . . . . . 165 GLY H . 53788 1 780 . 1 . 1 165 165 GLY C C 13 173.361 0.000 . 1 . . . . . 165 GLY C . 53788 1 781 . 1 . 1 165 165 GLY CA C 13 45.312 0.031 . 1 . . . . . 165 GLY CA . 53788 1 782 . 1 . 1 165 165 GLY N N 15 102.562 0.035 . 1 . . . . . 165 GLY N . 53788 1 783 . 1 . 1 166 166 PHE H H 1 6.713 0.028 . 1 . . . . . 166 PHE H . 53788 1 784 . 1 . 1 166 166 PHE C C 13 172.829 0.000 . 1 . . . . . 166 PHE C . 53788 1 785 . 1 . 1 166 166 PHE CA C 13 54.672 0.154 . 1 . . . . . 166 PHE CA . 53788 1 786 . 1 . 1 166 166 PHE CB C 13 42.422 0.118 . 1 . . . . . 166 PHE CB . 53788 1 787 . 1 . 1 166 166 PHE N N 15 111.016 0.093 . 1 . . . . . 166 PHE N . 53788 1 788 . 1 . 1 167 167 ASN H H 1 8.019 0.002 . 1 . . . . . 167 ASN H . 53788 1 789 . 1 . 1 167 167 ASN HD21 H 1 6.979 0.004 . 2 . . . . . 167 ASN HD21 . 53788 1 790 . 1 . 1 167 167 ASN HD22 H 1 7.209 0.001 . 2 . . . . . 167 ASN HD22 . 53788 1 791 . 1 . 1 167 167 ASN C C 13 174.471 0.002 . 1 . . . . . 167 ASN C . 53788 1 792 . 1 . 1 167 167 ASN CA C 13 51.786 0.054 . 1 . . . . . 167 ASN CA . 53788 1 793 . 1 . 1 167 167 ASN CB C 13 41.381 0.105 . 1 . . . . . 167 ASN CB . 53788 1 794 . 1 . 1 167 167 ASN CG C 13 176.078 0.009 . 1 . . . . . 167 ASN CG . 53788 1 795 . 1 . 1 167 167 ASN N N 15 117.745 0.045 . 1 . . . . . 167 ASN N . 53788 1 796 . 1 . 1 167 167 ASN ND2 N 15 113.794 0.070 . 1 . . . . . 167 ASN ND2 . 53788 1 797 . 1 . 1 168 168 LEU H H 1 9.162 0.003 . 1 . . . . . 168 LEU H . 53788 1 798 . 1 . 1 168 168 LEU C C 13 176.720 0.036 . 1 . . . . . 168 LEU C . 53788 1 799 . 1 . 1 168 168 LEU CA C 13 54.479 0.100 . 1 . . . . . 168 LEU CA . 53788 1 800 . 1 . 1 168 168 LEU CB C 13 44.804 0.093 . 1 . . . . . 168 LEU CB . 53788 1 801 . 1 . 1 168 168 LEU N N 15 124.336 0.053 . 1 . . . . . 168 LEU N . 53788 1 802 . 1 . 1 169 169 HIS H H 1 9.329 0.011 . 1 . . . . . 169 HIS H . 53788 1 803 . 1 . 1 169 169 HIS C C 13 173.706 0.000 . 1 . . . . . 169 HIS C . 53788 1 804 . 1 . 1 169 169 HIS CA C 13 56.273 0.071 . 1 . . . . . 169 HIS CA . 53788 1 805 . 1 . 1 169 169 HIS CB C 13 34.025 0.000 . 1 . . . . . 169 HIS CB . 53788 1 806 . 1 . 1 169 169 HIS N N 15 120.547 0.064 . 1 . . . . . 169 HIS N . 53788 1 807 . 1 . 1 170 170 SER C C 13 172.703 0.003 . 1 . . . . . 170 SER C . 53788 1 808 . 1 . 1 170 170 SER CA C 13 57.452 0.021 . 1 . . . . . 170 SER CA . 53788 1 809 . 1 . 1 170 170 SER CB C 13 64.429 0.026 . 1 . . . . . 170 SER CB . 53788 1 810 . 1 . 1 171 171 ASP H H 1 9.081 0.008 . 1 . . . . . 171 ASP H . 53788 1 811 . 1 . 1 171 171 ASP C C 13 176.049 0.009 . 1 . . . . . 171 ASP C . 53788 1 812 . 1 . 1 171 171 ASP CA C 13 53.608 0.080 . 1 . . . . . 171 ASP CA . 53788 1 813 . 1 . 1 171 171 ASP CB C 13 43.695 0.007 . 1 . . . . . 171 ASP CB . 53788 1 814 . 1 . 1 171 171 ASP N N 15 123.216 0.025 . 1 . . . . . 171 ASP N . 53788 1 815 . 1 . 1 172 172 LYS H H 1 8.440 0.003 . 1 . . . . . 172 LYS H . 53788 1 816 . 1 . 1 172 172 LYS C C 13 177.100 0.011 . 1 . . . . . 172 LYS C . 53788 1 817 . 1 . 1 172 172 LYS CA C 13 57.817 0.081 . 1 . . . . . 172 LYS CA . 53788 1 818 . 1 . 1 172 172 LYS CB C 13 32.240 0.008 . 1 . . . . . 172 LYS CB . 53788 1 819 . 1 . 1 172 172 LYS N N 15 122.561 0.039 . 1 . . . . . 172 LYS N . 53788 1 820 . 1 . 1 173 173 SER H H 1 8.722 0.003 . 1 . . . . . 173 SER H . 53788 1 821 . 1 . 1 173 173 SER C C 13 173.926 0.007 . 1 . . . . . 173 SER C . 53788 1 822 . 1 . 1 173 173 SER CA C 13 59.574 0.066 . 1 . . . . . 173 SER CA . 53788 1 823 . 1 . 1 173 173 SER CB C 13 64.317 0.047 . 1 . . . . . 173 SER CB . 53788 1 824 . 1 . 1 173 173 SER N N 15 114.656 0.011 . 1 . . . . . 173 SER N . 53788 1 825 . 1 . 1 174 174 LYS H H 1 7.730 0.002 . 1 . . . . . 174 LYS H . 53788 1 826 . 1 . 1 174 174 LYS C C 13 173.304 0.000 . 1 . . . . . 174 LYS C . 53788 1 827 . 1 . 1 174 174 LYS CA C 13 53.699 0.031 . 1 . . . . . 174 LYS CA . 53788 1 828 . 1 . 1 174 174 LYS CB C 13 33.571 0.000 . 1 . . . . . 174 LYS CB . 53788 1 829 . 1 . 1 174 174 LYS N N 15 122.138 0.028 . 1 . . . . . 174 LYS N . 53788 1 830 . 1 . 1 175 175 PRO C C 13 176.713 0.004 . 1 . . . . . 175 PRO C . 53788 1 831 . 1 . 1 175 175 PRO CA C 13 63.053 0.046 . 1 . . . . . 175 PRO CA . 53788 1 832 . 1 . 1 175 175 PRO CB C 13 32.296 0.116 . 1 . . . . . 175 PRO CB . 53788 1 833 . 1 . 1 176 176 GLY H H 1 8.217 0.002 . 1 . . . . . 176 GLY H . 53788 1 834 . 1 . 1 176 176 GLY C C 13 172.509 0.000 . 1 . . . . . 176 GLY C . 53788 1 835 . 1 . 1 176 176 GLY CA C 13 43.909 0.015 . 1 . . . . . 176 GLY CA . 53788 1 836 . 1 . 1 176 176 GLY N N 15 108.339 0.016 . 1 . . . . . 176 GLY N . 53788 1 837 . 1 . 1 177 177 GLN H H 1 8.597 0.008 . 1 . . . . . 177 GLN H . 53788 1 838 . 1 . 1 177 177 GLN C C 13 173.591 0.003 . 1 . . . . . 177 GLN C . 53788 1 839 . 1 . 1 177 177 GLN CA C 13 54.309 0.060 . 1 . . . . . 177 GLN CA . 53788 1 840 . 1 . 1 177 177 GLN CB C 13 29.802 0.006 . 1 . . . . . 177 GLN CB . 53788 1 841 . 1 . 1 177 177 GLN N N 15 119.116 0.041 . 1 . . . . . 177 GLN N . 53788 1 842 . 1 . 1 178 178 PHE H H 1 8.664 0.003 . 1 . . . . . 178 PHE H . 53788 1 843 . 1 . 1 178 178 PHE C C 13 175.704 0.004 . 1 . . . . . 178 PHE C . 53788 1 844 . 1 . 1 178 178 PHE CA C 13 55.873 0.042 . 1 . . . . . 178 PHE CA . 53788 1 845 . 1 . 1 178 178 PHE CB C 13 42.945 0.018 . 1 . . . . . 178 PHE CB . 53788 1 846 . 1 . 1 178 178 PHE N N 15 120.727 0.027 . 1 . . . . . 178 PHE N . 53788 1 847 . 1 . 1 179 179 ILE H H 1 9.079 0.004 . 1 . . . . . 179 ILE H . 53788 1 848 . 1 . 1 179 179 ILE C C 13 176.538 0.013 . 1 . . . . . 179 ILE C . 53788 1 849 . 1 . 1 179 179 ILE CA C 13 58.499 0.092 . 1 . . . . . 179 ILE CA . 53788 1 850 . 1 . 1 179 179 ILE CB C 13 35.388 0.012 . 1 . . . . . 179 ILE CB . 53788 1 851 . 1 . 1 179 179 ILE N N 15 120.361 0.021 . 1 . . . . . 179 ILE N . 53788 1 852 . 1 . 1 180 180 ARG H H 1 9.347 0.006 . 1 . . . . . 180 ARG H . 53788 1 853 . 1 . 1 180 180 ARG C C 13 175.555 0.011 . 1 . . . . . 180 ARG C . 53788 1 854 . 1 . 1 180 180 ARG CA C 13 58.067 0.117 . 1 . . . . . 180 ARG CA . 53788 1 855 . 1 . 1 180 180 ARG CB C 13 31.075 0.060 . 1 . . . . . 180 ARG CB . 53788 1 856 . 1 . 1 180 180 ARG N N 15 132.031 0.021 . 1 . . . . . 180 ARG N . 53788 1 857 . 1 . 1 181 181 SER H H 1 7.419 0.001 . 1 . . . . . 181 SER H . 53788 1 858 . 1 . 1 181 181 SER C C 13 171.297 0.011 . 1 . . . . . 181 SER C . 53788 1 859 . 1 . 1 181 181 SER CA C 13 56.936 0.079 . 1 . . . . . 181 SER CA . 53788 1 860 . 1 . 1 181 181 SER CB C 13 64.889 0.082 . 1 . . . . . 181 SER CB . 53788 1 861 . 1 . 1 181 181 SER N N 15 108.324 0.028 . 1 . . . . . 181 SER N . 53788 1 862 . 1 . 1 182 182 VAL H H 1 8.493 0.004 . 1 . . . . . 182 VAL H . 53788 1 863 . 1 . 1 182 182 VAL C C 13 175.404 0.020 . 1 . . . . . 182 VAL C . 53788 1 864 . 1 . 1 182 182 VAL CA C 13 60.784 0.071 . 1 . . . . . 182 VAL CA . 53788 1 865 . 1 . 1 182 182 VAL CB C 13 34.748 0.150 . 1 . . . . . 182 VAL CB . 53788 1 866 . 1 . 1 182 182 VAL N N 15 119.623 0.040 . 1 . . . . . 182 VAL N . 53788 1 867 . 1 . 1 183 183 ASP H H 1 9.241 0.004 . 1 . . . . . 183 ASP H . 53788 1 868 . 1 . 1 183 183 ASP C C 13 174.453 0.000 . 1 . . . . . 183 ASP C . 53788 1 869 . 1 . 1 183 183 ASP CA C 13 52.805 0.005 . 1 . . . . . 183 ASP CA . 53788 1 870 . 1 . 1 183 183 ASP CB C 13 39.597 0.000 . 1 . . . . . 183 ASP CB . 53788 1 871 . 1 . 1 183 183 ASP N N 15 129.361 0.022 . 1 . . . . . 183 ASP N . 53788 1 872 . 1 . 1 184 184 PRO C C 13 176.847 0.012 . 1 . . . . . 184 PRO C . 53788 1 873 . 1 . 1 184 184 PRO CA C 13 63.119 0.037 . 1 . . . . . 184 PRO CA . 53788 1 874 . 1 . 1 184 184 PRO CB C 13 31.808 0.021 . 1 . . . . . 184 PRO CB . 53788 1 875 . 1 . 1 185 185 ASP H H 1 9.143 0.004 . 1 . . . . . 185 ASP H . 53788 1 876 . 1 . 1 185 185 ASP C C 13 174.379 0.012 . 1 . . . . . 185 ASP C . 53788 1 877 . 1 . 1 185 185 ASP CA C 13 55.666 0.021 . 1 . . . . . 185 ASP CA . 53788 1 878 . 1 . 1 185 185 ASP CB C 13 39.243 0.143 . 1 . . . . . 185 ASP CB . 53788 1 879 . 1 . 1 185 185 ASP N N 15 118.425 0.026 . 1 . . . . . 185 ASP N . 53788 1 880 . 1 . 1 186 186 SER H H 1 7.241 0.002 . 1 . . . . . 186 SER H . 53788 1 881 . 1 . 1 186 186 SER C C 13 174.147 0.000 . 1 . . . . . 186 SER C . 53788 1 882 . 1 . 1 186 186 SER CA C 13 56.506 0.035 . 1 . . . . . 186 SER CA . 53788 1 883 . 1 . 1 186 186 SER CB C 13 65.478 0.000 . 1 . . . . . 186 SER CB . 53788 1 884 . 1 . 1 186 186 SER N N 15 111.439 0.023 . 1 . . . . . 186 SER N . 53788 1 885 . 1 . 1 187 187 PRO C C 13 180.174 0.000 . 1 . . . . . 187 PRO C . 53788 1 886 . 1 . 1 187 187 PRO CA C 13 65.153 0.047 . 1 . . . . . 187 PRO CA . 53788 1 887 . 1 . 1 187 187 PRO CB C 13 32.864 0.000 . 1 . . . . . 187 PRO CB . 53788 1 888 . 1 . 1 188 188 ALA H H 1 8.325 0.008 . 1 . . . . . 188 ALA H . 53788 1 889 . 1 . 1 188 188 ALA C C 13 179.762 0.005 . 1 . . . . . 188 ALA C . 53788 1 890 . 1 . 1 188 188 ALA CA C 13 55.012 0.031 . 1 . . . . . 188 ALA CA . 53788 1 891 . 1 . 1 188 188 ALA CB C 13 19.630 0.083 . 1 . . . . . 188 ALA CB . 53788 1 892 . 1 . 1 188 188 ALA N N 15 118.175 0.041 . 1 . . . . . 188 ALA N . 53788 1 893 . 1 . 1 189 189 GLU H H 1 8.122 0.007 . 1 . . . . . 189 GLU H . 53788 1 894 . 1 . 1 189 189 GLU C C 13 180.315 0.000 . 1 . . . . . 189 GLU C . 53788 1 895 . 1 . 1 189 189 GLU CA C 13 59.713 0.000 . 1 . . . . . 189 GLU CA . 53788 1 896 . 1 . 1 189 189 GLU N N 15 122.452 0.020 . 1 . . . . . 189 GLU N . 53788 1 897 . 1 . 1 190 190 ALA H H 1 8.230 0.007 . 1 . . . . . 190 ALA H . 53788 1 898 . 1 . 1 190 190 ALA C C 13 178.867 0.014 . 1 . . . . . 190 ALA C . 53788 1 899 . 1 . 1 190 190 ALA CA C 13 54.589 0.077 . 1 . . . . . 190 ALA CA . 53788 1 900 . 1 . 1 190 190 ALA CB C 13 18.010 0.084 . 1 . . . . . 190 ALA CB . 53788 1 901 . 1 . 1 190 190 ALA N N 15 122.304 0.014 . 1 . . . . . 190 ALA N . 53788 1 902 . 1 . 1 191 191 SER H H 1 7.826 0.002 . 1 . . . . . 191 SER H . 53788 1 903 . 1 . 1 191 191 SER C C 13 174.815 0.022 . 1 . . . . . 191 SER C . 53788 1 904 . 1 . 1 191 191 SER CA C 13 59.901 0.131 . 1 . . . . . 191 SER CA . 53788 1 905 . 1 . 1 191 191 SER CB C 13 64.821 0.106 . 1 . . . . . 191 SER CB . 53788 1 906 . 1 . 1 191 191 SER N N 15 111.858 0.023 . 1 . . . . . 191 SER N . 53788 1 907 . 1 . 1 192 192 GLY H H 1 7.505 0.007 . 1 . . . . . 192 GLY H . 53788 1 908 . 1 . 1 192 192 GLY C C 13 173.798 0.011 . 1 . . . . . 192 GLY C . 53788 1 909 . 1 . 1 192 192 GLY CA C 13 44.958 0.033 . 1 . . . . . 192 GLY CA . 53788 1 910 . 1 . 1 192 192 GLY N N 15 107.680 0.049 . 1 . . . . . 192 GLY N . 53788 1 911 . 1 . 1 193 193 LEU H H 1 7.151 0.003 . 1 . . . . . 193 LEU H . 53788 1 912 . 1 . 1 193 193 LEU C C 13 175.152 0.024 . 1 . . . . . 193 LEU C . 53788 1 913 . 1 . 1 193 193 LEU CA C 13 55.403 0.061 . 1 . . . . . 193 LEU CA . 53788 1 914 . 1 . 1 193 193 LEU CB C 13 43.783 0.101 . 1 . . . . . 193 LEU CB . 53788 1 915 . 1 . 1 193 193 LEU N N 15 123.958 0.030 . 1 . . . . . 193 LEU N . 53788 1 916 . 1 . 1 194 194 ARG H H 1 8.671 0.003 . 1 . . . . . 194 ARG H . 53788 1 917 . 1 . 1 194 194 ARG C C 13 175.415 0.021 . 1 . . . . . 194 ARG C . 53788 1 918 . 1 . 1 194 194 ARG CA C 13 54.024 0.054 . 1 . . . . . 194 ARG CA . 53788 1 919 . 1 . 1 194 194 ARG CB C 13 34.328 0.114 . 1 . . . . . 194 ARG CB . 53788 1 920 . 1 . 1 194 194 ARG N N 15 123.773 0.090 . 1 . . . . . 194 ARG N . 53788 1 921 . 1 . 1 195 195 ALA H H 1 8.570 0.002 . 1 . . . . . 195 ALA H . 53788 1 922 . 1 . 1 195 195 ALA C C 13 178.975 0.016 . 1 . . . . . 195 ALA C . 53788 1 923 . 1 . 1 195 195 ALA CA C 13 53.607 0.057 . 1 . . . . . 195 ALA CA . 53788 1 924 . 1 . 1 195 195 ALA CB C 13 18.062 0.127 . 1 . . . . . 195 ALA CB . 53788 1 925 . 1 . 1 195 195 ALA N N 15 122.022 0.020 . 1 . . . . . 195 ALA N . 53788 1 926 . 1 . 1 196 196 GLN H H 1 9.365 0.006 . 1 . . . . . 196 GLN H . 53788 1 927 . 1 . 1 196 196 GLN HE21 H 1 6.730 0.001 . 2 . . . . . 196 GLN HE21 . 53788 1 928 . 1 . 1 196 196 GLN HE22 H 1 7.449 0.001 . 2 . . . . . 196 GLN HE22 . 53788 1 929 . 1 . 1 196 196 GLN C C 13 175.106 0.008 . 1 . . . . . 196 GLN C . 53788 1 930 . 1 . 1 196 196 GLN CA C 13 58.429 0.115 . 1 . . . . . 196 GLN CA . 53788 1 931 . 1 . 1 196 196 GLN CB C 13 26.530 0.053 . 1 . . . . . 196 GLN CB . 53788 1 932 . 1 . 1 196 196 GLN CG C 13 34.297 0.067 . 1 . . . . . 196 GLN CG . 53788 1 933 . 1 . 1 196 196 GLN CD C 13 180.534 0.010 . 1 . . . . . 196 GLN CD . 53788 1 934 . 1 . 1 196 196 GLN N N 15 115.376 0.013 . 1 . . . . . 196 GLN N . 53788 1 935 . 1 . 1 196 196 GLN NE2 N 15 111.340 0.199 . 1 . . . . . 196 GLN NE2 . 53788 1 936 . 1 . 1 197 197 ASP H H 1 7.749 0.002 . 1 . . . . . 197 ASP H . 53788 1 937 . 1 . 1 197 197 ASP C C 13 174.722 0.011 . 1 . . . . . 197 ASP C . 53788 1 938 . 1 . 1 197 197 ASP CA C 13 55.422 0.085 . 1 . . . . . 197 ASP CA . 53788 1 939 . 1 . 1 197 197 ASP CB C 13 41.656 0.037 . 1 . . . . . 197 ASP CB . 53788 1 940 . 1 . 1 197 197 ASP N N 15 120.742 0.031 . 1 . . . . . 197 ASP N . 53788 1 941 . 1 . 1 198 198 ARG H H 1 8.745 0.009 . 1 . . . . . 198 ARG H . 53788 1 942 . 1 . 1 198 198 ARG C C 13 176.262 0.000 . 1 . . . . . 198 ARG C . 53788 1 943 . 1 . 1 198 198 ARG CA C 13 54.394 0.105 . 1 . . . . . 198 ARG CA . 53788 1 944 . 1 . 1 198 198 ARG N N 15 121.194 0.013 . 1 . . . . . 198 ARG N . 53788 1 945 . 1 . 1 199 199 ILE H H 1 7.973 0.003 . 1 . . . . . 199 ILE H . 53788 1 946 . 1 . 1 199 199 ILE C C 13 174.214 0.010 . 1 . . . . . 199 ILE C . 53788 1 947 . 1 . 1 199 199 ILE CA C 13 62.738 0.054 . 1 . . . . . 199 ILE CA . 53788 1 948 . 1 . 1 199 199 ILE CB C 13 38.867 0.087 . 1 . . . . . 199 ILE CB . 53788 1 949 . 1 . 1 199 199 ILE N N 15 124.328 0.043 . 1 . . . . . 199 ILE N . 53788 1 950 . 1 . 1 200 200 VAL H H 1 9.120 0.007 . 1 . . . . . 200 VAL H . 53788 1 951 . 1 . 1 200 200 VAL C C 13 175.921 0.013 . 1 . . . . . 200 VAL C . 53788 1 952 . 1 . 1 200 200 VAL CA C 13 63.529 0.106 . 1 . . . . . 200 VAL CA . 53788 1 953 . 1 . 1 200 200 VAL CB C 13 33.245 0.040 . 1 . . . . . 200 VAL CB . 53788 1 954 . 1 . 1 200 200 VAL N N 15 127.204 0.065 . 1 . . . . . 200 VAL N . 53788 1 955 . 1 . 1 201 201 GLU H H 1 7.633 0.002 . 1 . . . . . 201 GLU H . 53788 1 956 . 1 . 1 201 201 GLU C C 13 175.841 0.003 . 1 . . . . . 201 GLU C . 53788 1 957 . 1 . 1 201 201 GLU CA C 13 54.514 0.081 . 1 . . . . . 201 GLU CA . 53788 1 958 . 1 . 1 201 201 GLU CB C 13 34.912 0.019 . 1 . . . . . 201 GLU CB . 53788 1 959 . 1 . 1 201 201 GLU N N 15 114.863 0.023 . 1 . . . . . 201 GLU N . 53788 1 960 . 1 . 1 202 202 VAL H H 1 7.949 0.003 . 1 . . . . . 202 VAL H . 53788 1 961 . 1 . 1 202 202 VAL C C 13 176.088 0.025 . 1 . . . . . 202 VAL C . 53788 1 962 . 1 . 1 202 202 VAL CA C 13 61.099 0.030 . 1 . . . . . 202 VAL CA . 53788 1 963 . 1 . 1 202 202 VAL CB C 13 33.956 0.074 . 1 . . . . . 202 VAL CB . 53788 1 964 . 1 . 1 202 202 VAL N N 15 118.490 0.025 . 1 . . . . . 202 VAL N . 53788 1 965 . 1 . 1 203 203 ASN H H 1 9.847 0.004 . 1 . . . . . 203 ASN H . 53788 1 966 . 1 . 1 203 203 ASN C C 13 174.949 0.009 . 1 . . . . . 203 ASN C . 53788 1 967 . 1 . 1 203 203 ASN CA C 13 54.450 0.114 . 1 . . . . . 203 ASN CA . 53788 1 968 . 1 . 1 203 203 ASN CB C 13 37.079 0.073 . 1 . . . . . 203 ASN CB . 53788 1 969 . 1 . 1 203 203 ASN N N 15 128.286 0.063 . 1 . . . . . 203 ASN N . 53788 1 970 . 1 . 1 204 204 GLY H H 1 9.067 0.002 . 1 . . . . . 204 GLY H . 53788 1 971 . 1 . 1 204 204 GLY C C 13 173.545 0.014 . 1 . . . . . 204 GLY C . 53788 1 972 . 1 . 1 204 204 GLY CA C 13 45.096 0.051 . 1 . . . . . 204 GLY CA . 53788 1 973 . 1 . 1 204 204 GLY N N 15 103.139 0.014 . 1 . . . . . 204 GLY N . 53788 1 974 . 1 . 1 205 205 VAL H H 1 7.690 0.002 . 1 . . . . . 205 VAL H . 53788 1 975 . 1 . 1 205 205 VAL C C 13 175.131 0.007 . 1 . . . . . 205 VAL C . 53788 1 976 . 1 . 1 205 205 VAL CA C 13 61.422 0.016 . 1 . . . . . 205 VAL CA . 53788 1 977 . 1 . 1 205 205 VAL CB C 13 32.689 0.051 . 1 . . . . . 205 VAL CB . 53788 1 978 . 1 . 1 205 205 VAL N N 15 121.961 0.021 . 1 . . . . . 205 VAL N . 53788 1 979 . 1 . 1 206 206 CYS H H 1 8.893 0.002 . 1 . . . . . 206 CYS H . 53788 1 980 . 1 . 1 206 206 CYS C C 13 175.940 0.004 . 1 . . . . . 206 CYS C . 53788 1 981 . 1 . 1 206 206 CYS CA C 13 61.284 0.088 . 1 . . . . . 206 CYS CA . 53788 1 982 . 1 . 1 206 206 CYS CB C 13 27.483 0.046 . 1 . . . . . 206 CYS CB . 53788 1 983 . 1 . 1 206 206 CYS N N 15 127.720 0.016 . 1 . . . . . 206 CYS N . 53788 1 984 . 1 . 1 207 207 MET H H 1 9.098 0.003 . 1 . . . . . 207 MET H . 53788 1 985 . 1 . 1 207 207 MET C C 13 176.906 0.001 . 1 . . . . . 207 MET C . 53788 1 986 . 1 . 1 207 207 MET CA C 13 53.252 0.099 . 1 . . . . . 207 MET CA . 53788 1 987 . 1 . 1 207 207 MET CB C 13 33.246 0.110 . 1 . . . . . 207 MET CB . 53788 1 988 . 1 . 1 207 207 MET N N 15 126.774 0.039 . 1 . . . . . 207 MET N . 53788 1 989 . 1 . 1 208 208 GLU H H 1 8.168 0.002 . 1 . . . . . 208 GLU H . 53788 1 990 . 1 . 1 208 208 GLU C C 13 177.976 0.009 . 1 . . . . . 208 GLU C . 53788 1 991 . 1 . 1 208 208 GLU CA C 13 58.376 0.125 . 1 . . . . . 208 GLU CA . 53788 1 992 . 1 . 1 208 208 GLU CB C 13 29.310 0.127 . 1 . . . . . 208 GLU CB . 53788 1 993 . 1 . 1 208 208 GLU N N 15 125.705 0.037 . 1 . . . . . 208 GLU N . 53788 1 994 . 1 . 1 209 209 GLY H H 1 8.973 0.001 . 1 . . . . . 209 GLY H . 53788 1 995 . 1 . 1 209 209 GLY C C 13 174.251 0.000 . 1 . . . . . 209 GLY C . 53788 1 996 . 1 . 1 209 209 GLY CA C 13 45.712 0.043 . 1 . . . . . 209 GLY CA . 53788 1 997 . 1 . 1 209 209 GLY N N 15 114.094 0.007 . 1 . . . . . 209 GLY N . 53788 1 998 . 1 . 1 210 210 LYS H H 1 7.515 0.004 . 1 . . . . . 210 LYS H . 53788 1 999 . 1 . 1 210 210 LYS C C 13 176.349 0.017 . 1 . . . . . 210 LYS C . 53788 1 1000 . 1 . 1 210 210 LYS CA C 13 54.746 0.123 . 1 . . . . . 210 LYS CA . 53788 1 1001 . 1 . 1 210 210 LYS CB C 13 32.590 0.051 . 1 . . . . . 210 LYS CB . 53788 1 1002 . 1 . 1 210 210 LYS N N 15 118.796 0.055 . 1 . . . . . 210 LYS N . 53788 1 1003 . 1 . 1 211 211 GLN H H 1 8.966 0.002 . 1 . . . . . 211 GLN H . 53788 1 1004 . 1 . 1 211 211 GLN HE21 H 1 6.824 0.002 . 2 . . . . . 211 GLN HE21 . 53788 1 1005 . 1 . 1 211 211 GLN HE22 H 1 7.559 0.001 . 2 . . . . . 211 GLN HE22 . 53788 1 1006 . 1 . 1 211 211 GLN C C 13 176.983 0.009 . 1 . . . . . 211 GLN C . 53788 1 1007 . 1 . 1 211 211 GLN CA C 13 54.531 0.101 . 1 . . . . . 211 GLN CA . 53788 1 1008 . 1 . 1 211 211 GLN CB C 13 30.628 0.001 . 1 . . . . . 211 GLN CB . 53788 1 1009 . 1 . 1 211 211 GLN CG C 13 33.814 0.084 . 1 . . . . . 211 GLN CG . 53788 1 1010 . 1 . 1 211 211 GLN CD C 13 180.346 0.014 . 1 . . . . . 211 GLN CD . 53788 1 1011 . 1 . 1 211 211 GLN N N 15 118.463 0.021 . 1 . . . . . 211 GLN N . 53788 1 1012 . 1 . 1 211 211 GLN NE2 N 15 113.018 0.050 . 1 . . . . . 211 GLN NE2 . 53788 1 1013 . 1 . 1 212 212 HIS H H 1 8.828 0.004 . 1 . . . . . 212 HIS H . 53788 1 1014 . 1 . 1 212 212 HIS C C 13 177.500 0.021 . 1 . . . . . 212 HIS C . 53788 1 1015 . 1 . 1 212 212 HIS CA C 13 61.179 0.043 . 1 . . . . . 212 HIS CA . 53788 1 1016 . 1 . 1 212 212 HIS CB C 13 30.750 0.024 . 1 . . . . . 212 HIS CB . 53788 1 1017 . 1 . 1 212 212 HIS N N 15 121.631 0.040 . 1 . . . . . 212 HIS N . 53788 1 1018 . 1 . 1 213 213 GLY H H 1 8.982 0.003 . 1 . . . . . 213 GLY H . 53788 1 1019 . 1 . 1 213 213 GLY C C 13 176.618 0.017 . 1 . . . . . 213 GLY C . 53788 1 1020 . 1 . 1 213 213 GLY CA C 13 46.988 0.140 . 1 . . . . . 213 GLY CA . 53788 1 1021 . 1 . 1 213 213 GLY N N 15 103.653 0.027 . 1 . . . . . 213 GLY N . 53788 1 1022 . 1 . 1 214 214 ASP H H 1 7.256 0.003 . 1 . . . . . 214 ASP H . 53788 1 1023 . 1 . 1 214 214 ASP C C 13 178.618 0.021 . 1 . . . . . 214 ASP C . 53788 1 1024 . 1 . 1 214 214 ASP CA C 13 56.959 0.077 . 1 . . . . . 214 ASP CA . 53788 1 1025 . 1 . 1 214 214 ASP CB C 13 41.353 0.040 . 1 . . . . . 214 ASP CB . 53788 1 1026 . 1 . 1 214 214 ASP N N 15 120.143 0.018 . 1 . . . . . 214 ASP N . 53788 1 1027 . 1 . 1 215 215 VAL H H 1 7.487 0.003 . 1 . . . . . 215 VAL H . 53788 1 1028 . 1 . 1 215 215 VAL C C 13 177.453 0.000 . 1 . . . . . 215 VAL C . 53788 1 1029 . 1 . 1 215 215 VAL CA C 13 66.365 0.061 . 1 . . . . . 215 VAL CA . 53788 1 1030 . 1 . 1 215 215 VAL CB C 13 31.431 0.054 . 1 . . . . . 215 VAL CB . 53788 1 1031 . 1 . 1 215 215 VAL N N 15 122.253 0.015 . 1 . . . . . 215 VAL N . 53788 1 1032 . 1 . 1 216 216 VAL H H 1 7.956 0.002 . 1 . . . . . 216 VAL H . 53788 1 1033 . 1 . 1 216 216 VAL C C 13 179.127 0.000 . 1 . . . . . 216 VAL C . 53788 1 1034 . 1 . 1 216 216 VAL CA C 13 67.139 0.116 . 1 . . . . . 216 VAL CA . 53788 1 1035 . 1 . 1 216 216 VAL CB C 13 31.631 0.021 . 1 . . . . . 216 VAL CB . 53788 1 1036 . 1 . 1 216 216 VAL N N 15 118.374 0.034 . 1 . . . . . 216 VAL N . 53788 1 1037 . 1 . 1 217 217 SER H H 1 8.056 0.002 . 1 . . . . . 217 SER H . 53788 1 1038 . 1 . 1 217 217 SER C C 13 176.504 0.000 . 1 . . . . . 217 SER C . 53788 1 1039 . 1 . 1 217 217 SER CA C 13 62.367 0.230 . 1 . . . . . 217 SER CA . 53788 1 1040 . 1 . 1 217 217 SER N N 15 115.173 0.034 . 1 . . . . . 217 SER N . 53788 1 1041 . 1 . 1 218 218 ALA H H 1 7.748 0.004 . 1 . . . . . 218 ALA H . 53788 1 1042 . 1 . 1 218 218 ALA C C 13 180.512 0.017 . 1 . . . . . 218 ALA C . 53788 1 1043 . 1 . 1 218 218 ALA CA C 13 55.096 0.052 . 1 . . . . . 218 ALA CA . 53788 1 1044 . 1 . 1 218 218 ALA CB C 13 17.697 0.027 . 1 . . . . . 218 ALA CB . 53788 1 1045 . 1 . 1 218 218 ALA N N 15 124.817 0.024 . 1 . . . . . 218 ALA N . 53788 1 1046 . 1 . 1 219 219 ILE H H 1 8.191 0.003 . 1 . . . . . 219 ILE H . 53788 1 1047 . 1 . 1 219 219 ILE C C 13 181.528 0.000 . 1 . . . . . 219 ILE C . 53788 1 1048 . 1 . 1 219 219 ILE CA C 13 65.143 0.101 . 1 . . . . . 219 ILE CA . 53788 1 1049 . 1 . 1 219 219 ILE CB C 13 38.634 0.038 . 1 . . . . . 219 ILE CB . 53788 1 1050 . 1 . 1 219 219 ILE N N 15 118.764 0.047 . 1 . . . . . 219 ILE N . 53788 1 1051 . 1 . 1 220 220 ARG H H 1 8.535 0.007 . 1 . . . . . 220 ARG H . 53788 1 1052 . 1 . 1 220 220 ARG C C 13 178.459 0.010 . 1 . . . . . 220 ARG C . 53788 1 1053 . 1 . 1 220 220 ARG CA C 13 59.879 0.048 . 1 . . . . . 220 ARG CA . 53788 1 1054 . 1 . 1 220 220 ARG CB C 13 30.040 0.000 . 1 . . . . . 220 ARG CB . 53788 1 1055 . 1 . 1 220 220 ARG N N 15 123.808 0.053 . 1 . . . . . 220 ARG N . 53788 1 1056 . 1 . 1 221 221 ALA H H 1 8.123 0.003 . 1 . . . . . 221 ALA H . 53788 1 1057 . 1 . 1 221 221 ALA C C 13 178.632 0.016 . 1 . . . . . 221 ALA C . 53788 1 1058 . 1 . 1 221 221 ALA CA C 13 54.223 0.119 . 1 . . . . . 221 ALA CA . 53788 1 1059 . 1 . 1 221 221 ALA CB C 13 18.298 0.011 . 1 . . . . . 221 ALA CB . 53788 1 1060 . 1 . 1 221 221 ALA N N 15 120.601 0.053 . 1 . . . . . 221 ALA N . 53788 1 1061 . 1 . 1 222 222 GLY H H 1 7.136 0.002 . 1 . . . . . 222 GLY H . 53788 1 1062 . 1 . 1 222 222 GLY C C 13 174.569 0.007 . 1 . . . . . 222 GLY C . 53788 1 1063 . 1 . 1 222 222 GLY CA C 13 45.255 0.044 . 1 . . . . . 222 GLY CA . 53788 1 1064 . 1 . 1 222 222 GLY N N 15 102.041 0.019 . 1 . . . . . 222 GLY N . 53788 1 1065 . 1 . 1 223 223 GLY H H 1 7.733 0.002 . 1 . . . . . 223 GLY H . 53788 1 1066 . 1 . 1 223 223 GLY C C 13 174.430 0.015 . 1 . . . . . 223 GLY C . 53788 1 1067 . 1 . 1 223 223 GLY CA C 13 46.819 0.038 . 1 . . . . . 223 GLY CA . 53788 1 1068 . 1 . 1 223 223 GLY N N 15 107.125 0.011 . 1 . . . . . 223 GLY N . 53788 1 1069 . 1 . 1 224 224 ASP H H 1 9.002 0.004 . 1 . . . . . 224 ASP H . 53788 1 1070 . 1 . 1 224 224 ASP C C 13 173.600 0.006 . 1 . . . . . 224 ASP C . 53788 1 1071 . 1 . 1 224 224 ASP CA C 13 54.585 0.123 . 1 . . . . . 224 ASP CA . 53788 1 1072 . 1 . 1 224 224 ASP CB C 13 41.233 0.099 . 1 . . . . . 224 ASP CB . 53788 1 1073 . 1 . 1 224 224 ASP N N 15 128.019 0.014 . 1 . . . . . 224 ASP N . 53788 1 1074 . 1 . 1 225 225 GLU H H 1 7.380 0.002 . 1 . . . . . 225 GLU H . 53788 1 1075 . 1 . 1 225 225 GLU C C 13 175.450 0.005 . 1 . . . . . 225 GLU C . 53788 1 1076 . 1 . 1 225 225 GLU CA C 13 54.922 0.052 . 1 . . . . . 225 GLU CA . 53788 1 1077 . 1 . 1 225 225 GLU CB C 13 34.093 0.097 . 1 . . . . . 225 GLU CB . 53788 1 1078 . 1 . 1 225 225 GLU N N 15 118.116 0.017 . 1 . . . . . 225 GLU N . 53788 1 1079 . 1 . 1 226 226 THR H H 1 8.639 0.003 . 1 . . . . . 226 THR H . 53788 1 1080 . 1 . 1 226 226 THR C C 13 170.837 0.017 . 1 . . . . . 226 THR C . 53788 1 1081 . 1 . 1 226 226 THR CA C 13 62.685 0.067 . 1 . . . . . 226 THR CA . 53788 1 1082 . 1 . 1 226 226 THR CB C 13 70.585 0.056 . 1 . . . . . 226 THR CB . 53788 1 1083 . 1 . 1 226 226 THR N N 15 116.032 0.020 . 1 . . . . . 226 THR N . 53788 1 1084 . 1 . 1 227 227 LYS H H 1 7.737 0.002 . 1 . . . . . 227 LYS H . 53788 1 1085 . 1 . 1 227 227 LYS C C 13 175.145 0.000 . 1 . . . . . 227 LYS C . 53788 1 1086 . 1 . 1 227 227 LYS CA C 13 54.818 0.174 . 1 . . . . . 227 LYS CA . 53788 1 1087 . 1 . 1 227 227 LYS CB C 13 34.788 0.033 . 1 . . . . . 227 LYS CB . 53788 1 1088 . 1 . 1 227 227 LYS N N 15 125.175 0.032 . 1 . . . . . 227 LYS N . 53788 1 1089 . 1 . 1 228 228 LEU H H 1 8.828 0.003 . 1 . . . . . 228 LEU H . 53788 1 1090 . 1 . 1 228 228 LEU C C 13 175.091 0.025 . 1 . . . . . 228 LEU C . 53788 1 1091 . 1 . 1 228 228 LEU CA C 13 52.348 0.079 . 1 . . . . . 228 LEU CA . 53788 1 1092 . 1 . 1 228 228 LEU CB C 13 44.582 0.084 . 1 . . . . . 228 LEU CB . 53788 1 1093 . 1 . 1 228 228 LEU N N 15 124.289 0.026 . 1 . . . . . 228 LEU N . 53788 1 1094 . 1 . 1 229 229 LEU H H 1 8.468 0.005 . 1 . . . . . 229 LEU H . 53788 1 1095 . 1 . 1 229 229 LEU C C 13 176.412 0.012 . 1 . . . . . 229 LEU C . 53788 1 1096 . 1 . 1 229 229 LEU CA C 13 53.918 0.091 . 1 . . . . . 229 LEU CA . 53788 1 1097 . 1 . 1 229 229 LEU CB C 13 43.842 0.168 . 1 . . . . . 229 LEU CB . 53788 1 1098 . 1 . 1 229 229 LEU N N 15 127.200 0.070 . 1 . . . . . 229 LEU N . 53788 1 1099 . 1 . 1 230 230 VAL H H 1 9.258 0.004 . 1 . . . . . 230 VAL H . 53788 1 1100 . 1 . 1 230 230 VAL C C 13 174.746 0.006 . 1 . . . . . 230 VAL C . 53788 1 1101 . 1 . 1 230 230 VAL CA C 13 58.297 0.092 . 1 . . . . . 230 VAL CA . 53788 1 1102 . 1 . 1 230 230 VAL CB C 13 36.914 0.023 . 1 . . . . . 230 VAL CB . 53788 1 1103 . 1 . 1 230 230 VAL N N 15 120.323 0.017 . 1 . . . . . 230 VAL N . 53788 1 1104 . 1 . 1 231 231 VAL H H 1 7.967 0.002 . 1 . . . . . 231 VAL H . 53788 1 1105 . 1 . 1 231 231 VAL C C 13 175.654 0.005 . 1 . . . . . 231 VAL C . 53788 1 1106 . 1 . 1 231 231 VAL CA C 13 58.301 0.111 . 1 . . . . . 231 VAL CA . 53788 1 1107 . 1 . 1 231 231 VAL CB C 13 35.458 0.015 . 1 . . . . . 231 VAL CB . 53788 1 1108 . 1 . 1 231 231 VAL N N 15 107.074 0.023 . 1 . . . . . 231 VAL N . 53788 1 1109 . 1 . 1 232 232 ASP H H 1 7.526 0.002 . 1 . . . . . 232 ASP H . 53788 1 1110 . 1 . 1 232 232 ASP C C 13 175.712 0.008 . 1 . . . . . 232 ASP C . 53788 1 1111 . 1 . 1 232 232 ASP CA C 13 52.770 0.077 . 1 . . . . . 232 ASP CA . 53788 1 1112 . 1 . 1 232 232 ASP CB C 13 41.427 0.102 . 1 . . . . . 232 ASP CB . 53788 1 1113 . 1 . 1 232 232 ASP N N 15 121.618 0.021 . 1 . . . . . 232 ASP N . 53788 1 1114 . 1 . 1 233 233 ARG H H 1 8.983 0.004 . 1 . . . . . 233 ARG H . 53788 1 1115 . 1 . 1 233 233 ARG C C 13 178.999 0.011 . 1 . . . . . 233 ARG C . 53788 1 1116 . 1 . 1 233 233 ARG CA C 13 60.202 0.089 . 1 . . . . . 233 ARG CA . 53788 1 1117 . 1 . 1 233 233 ARG CB C 13 29.991 0.023 . 1 . . . . . 233 ARG CB . 53788 1 1118 . 1 . 1 233 233 ARG N N 15 120.783 0.036 . 1 . . . . . 233 ARG N . 53788 1 1119 . 1 . 1 234 234 GLU H H 1 8.707 0.003 . 1 . . . . . 234 GLU H . 53788 1 1120 . 1 . 1 234 234 GLU C C 13 180.057 0.005 . 1 . . . . . 234 GLU C . 53788 1 1121 . 1 . 1 234 234 GLU CA C 13 59.926 0.138 . 1 . . . . . 234 GLU CA . 53788 1 1122 . 1 . 1 234 234 GLU CB C 13 29.291 0.012 . 1 . . . . . 234 GLU CB . 53788 1 1123 . 1 . 1 234 234 GLU N N 15 119.144 0.012 . 1 . . . . . 234 GLU N . 53788 1 1124 . 1 . 1 235 235 THR H H 1 8.440 0.006 . 1 . . . . . 235 THR H . 53788 1 1125 . 1 . 1 235 235 THR C C 13 176.097 0.000 . 1 . . . . . 235 THR C . 53788 1 1126 . 1 . 1 235 235 THR CA C 13 67.882 0.143 . 1 . . . . . 235 THR CA . 53788 1 1127 . 1 . 1 235 235 THR N N 15 119.832 0.049 . 1 . . . . . 235 THR N . 53788 1 1128 . 1 . 1 236 236 ASP H H 1 8.848 0.003 . 1 . . . . . 236 ASP H . 53788 1 1129 . 1 . 1 236 236 ASP C C 13 178.956 0.008 . 1 . . . . . 236 ASP C . 53788 1 1130 . 1 . 1 236 236 ASP CA C 13 57.153 0.100 . 1 . . . . . 236 ASP CA . 53788 1 1131 . 1 . 1 236 236 ASP CB C 13 41.589 0.117 . 1 . . . . . 236 ASP CB . 53788 1 1132 . 1 . 1 236 236 ASP N N 15 123.515 0.025 . 1 . . . . . 236 ASP N . 53788 1 1133 . 1 . 1 237 237 GLU H H 1 8.214 0.004 . 1 . . . . . 237 GLU H . 53788 1 1134 . 1 . 1 237 237 GLU C C 13 178.822 0.003 . 1 . . . . . 237 GLU C . 53788 1 1135 . 1 . 1 237 237 GLU CA C 13 59.384 0.007 . 1 . . . . . 237 GLU CA . 53788 1 1136 . 1 . 1 237 237 GLU CB C 13 29.471 0.032 . 1 . . . . . 237 GLU CB . 53788 1 1137 . 1 . 1 237 237 GLU N N 15 115.910 0.056 . 1 . . . . . 237 GLU N . 53788 1 1138 . 1 . 1 238 238 PHE H H 1 7.847 0.002 . 1 . . . . . 238 PHE H . 53788 1 1139 . 1 . 1 238 238 PHE C C 13 177.434 0.020 . 1 . . . . . 238 PHE C . 53788 1 1140 . 1 . 1 238 238 PHE CA C 13 61.183 0.072 . 1 . . . . . 238 PHE CA . 53788 1 1141 . 1 . 1 238 238 PHE CB C 13 39.627 0.140 . 1 . . . . . 238 PHE CB . 53788 1 1142 . 1 . 1 238 238 PHE N N 15 121.415 0.055 . 1 . . . . . 238 PHE N . 53788 1 1143 . 1 . 1 239 239 PHE H H 1 8.656 0.001 . 1 . . . . . 239 PHE H . 53788 1 1144 . 1 . 1 239 239 PHE C C 13 178.791 0.017 . 1 . . . . . 239 PHE C . 53788 1 1145 . 1 . 1 239 239 PHE CA C 13 64.578 0.055 . 1 . . . . . 239 PHE CA . 53788 1 1146 . 1 . 1 239 239 PHE CB C 13 36.834 0.051 . 1 . . . . . 239 PHE CB . 53788 1 1147 . 1 . 1 239 239 PHE N N 15 120.048 0.053 . 1 . . . . . 239 PHE N . 53788 1 1148 . 1 . 1 240 240 LYS H H 1 8.303 0.002 . 1 . . . . . 240 LYS H . 53788 1 1149 . 1 . 1 240 240 LYS C C 13 181.360 0.017 . 1 . . . . . 240 LYS C . 53788 1 1150 . 1 . 1 240 240 LYS CA C 13 59.906 0.089 . 1 . . . . . 240 LYS CA . 53788 1 1151 . 1 . 1 240 240 LYS CB C 13 32.210 0.020 . 1 . . . . . 240 LYS CB . 53788 1 1152 . 1 . 1 240 240 LYS N N 15 119.255 0.036 . 1 . . . . . 240 LYS N . 53788 1 1153 . 1 . 1 241 241 LYS H H 1 7.862 0.002 . 1 . . . . . 241 LYS H . 53788 1 1154 . 1 . 1 241 241 LYS C C 13 178.964 0.013 . 1 . . . . . 241 LYS C . 53788 1 1155 . 1 . 1 241 241 LYS CA C 13 59.134 0.071 . 1 . . . . . 241 LYS CA . 53788 1 1156 . 1 . 1 241 241 LYS CB C 13 32.368 0.084 . 1 . . . . . 241 LYS CB . 53788 1 1157 . 1 . 1 241 241 LYS N N 15 121.182 0.040 . 1 . . . . . 241 LYS N . 53788 1 1158 . 1 . 1 242 242 CYS H H 1 7.253 0.003 . 1 . . . . . 242 CYS H . 53788 1 1159 . 1 . 1 242 242 CYS C C 13 173.217 0.042 . 1 . . . . . 242 CYS C . 53788 1 1160 . 1 . 1 242 242 CYS CA C 13 60.383 0.086 . 1 . . . . . 242 CYS CA . 53788 1 1161 . 1 . 1 242 242 CYS CB C 13 27.116 0.056 . 1 . . . . . 242 CYS CB . 53788 1 1162 . 1 . 1 242 242 CYS N N 15 115.980 0.019 . 1 . . . . . 242 CYS N . 53788 1 1163 . 1 . 1 243 243 ARG H H 1 7.782 0.001 . 1 . . . . . 243 ARG H . 53788 1 1164 . 1 . 1 243 243 ARG C C 13 174.850 0.005 . 1 . . . . . 243 ARG C . 53788 1 1165 . 1 . 1 243 243 ARG CA C 13 57.086 0.171 . 1 . . . . . 243 ARG CA . 53788 1 1166 . 1 . 1 243 243 ARG CB C 13 26.890 0.037 . 1 . . . . . 243 ARG CB . 53788 1 1167 . 1 . 1 243 243 ARG N N 15 115.460 0.044 . 1 . . . . . 243 ARG N . 53788 1 1168 . 1 . 1 244 244 VAL H H 1 7.386 0.001 . 1 . . . . . 244 VAL H . 53788 1 1169 . 1 . 1 244 244 VAL C C 13 174.909 0.006 . 1 . . . . . 244 VAL C . 53788 1 1170 . 1 . 1 244 244 VAL CA C 13 60.530 0.072 . 1 . . . . . 244 VAL CA . 53788 1 1171 . 1 . 1 244 244 VAL CB C 13 36.945 0.095 . 1 . . . . . 244 VAL CB . 53788 1 1172 . 1 . 1 244 244 VAL N N 15 118.087 0.010 . 1 . . . . . 244 VAL N . 53788 1 1173 . 1 . 1 245 245 ILE H H 1 8.470 0.003 . 1 . . . . . 245 ILE H . 53788 1 1174 . 1 . 1 245 245 ILE C C 13 173.900 0.000 . 1 . . . . . 245 ILE C . 53788 1 1175 . 1 . 1 245 245 ILE CA C 13 58.032 0.019 . 1 . . . . . 245 ILE CA . 53788 1 1176 . 1 . 1 245 245 ILE CB C 13 38.449 0.000 . 1 . . . . . 245 ILE CB . 53788 1 1177 . 1 . 1 245 245 ILE N N 15 129.431 0.025 . 1 . . . . . 245 ILE N . 53788 1 1178 . 1 . 1 246 246 PRO C C 13 175.029 0.011 . 1 . . . . . 246 PRO C . 53788 1 1179 . 1 . 1 246 246 PRO CA C 13 62.526 0.132 . 1 . . . . . 246 PRO CA . 53788 1 1180 . 1 . 1 246 246 PRO CB C 13 30.648 0.052 . 1 . . . . . 246 PRO CB . 53788 1 1181 . 1 . 1 247 247 SER H H 1 10.681 0.003 . 1 . . . . . 247 SER H . 53788 1 1182 . 1 . 1 247 247 SER C C 13 175.671 0.008 . 1 . . . . . 247 SER C . 53788 1 1183 . 1 . 1 247 247 SER CA C 13 56.555 0.054 . 1 . . . . . 247 SER CA . 53788 1 1184 . 1 . 1 247 247 SER CB C 13 66.908 0.018 . 1 . . . . . 247 SER CB . 53788 1 1185 . 1 . 1 247 247 SER N N 15 120.348 0.022 . 1 . . . . . 247 SER N . 53788 1 1186 . 1 . 1 248 248 GLN H H 1 8.787 0.003 . 1 . . . . . 248 GLN H . 53788 1 1187 . 1 . 1 248 248 GLN HE21 H 1 6.553 0.002 . 2 . . . . . 248 GLN HE21 . 53788 1 1188 . 1 . 1 248 248 GLN HE22 H 1 8.012 0.002 . 2 . . . . . 248 GLN HE22 . 53788 1 1189 . 1 . 1 248 248 GLN C C 13 178.561 0.010 . 1 . . . . . 248 GLN C . 53788 1 1190 . 1 . 1 248 248 GLN CA C 13 58.949 0.017 . 1 . . . . . 248 GLN CA . 53788 1 1191 . 1 . 1 248 248 GLN CB C 13 28.003 0.063 . 1 . . . . . 248 GLN CB . 53788 1 1192 . 1 . 1 248 248 GLN CG C 13 34.960 0.000 . 1 . . . . . 248 GLN CG . 53788 1 1193 . 1 . 1 248 248 GLN CD C 13 179.350 0.012 . 1 . . . . . 248 GLN CD . 53788 1 1194 . 1 . 1 248 248 GLN N N 15 119.511 0.021 . 1 . . . . . 248 GLN N . 53788 1 1195 . 1 . 1 248 248 GLN NE2 N 15 111.954 0.061 . 1 . . . . . 248 GLN NE2 . 53788 1 1196 . 1 . 1 249 249 GLU H H 1 8.479 0.002 . 1 . . . . . 249 GLU H . 53788 1 1197 . 1 . 1 249 249 GLU C C 13 177.428 0.004 . 1 . . . . . 249 GLU C . 53788 1 1198 . 1 . 1 249 249 GLU CA C 13 58.304 0.150 . 1 . . . . . 249 GLU CA . 53788 1 1199 . 1 . 1 249 249 GLU CB C 13 28.808 0.011 . 1 . . . . . 249 GLU CB . 53788 1 1200 . 1 . 1 249 249 GLU N N 15 119.969 0.013 . 1 . . . . . 249 GLU N . 53788 1 1201 . 1 . 1 250 250 HIS H H 1 7.469 0.004 . 1 . . . . . 250 HIS H . 53788 1 1202 . 1 . 1 250 250 HIS C C 13 175.922 0.006 . 1 . . . . . 250 HIS C . 53788 1 1203 . 1 . 1 250 250 HIS CA C 13 57.768 0.078 . 1 . . . . . 250 HIS CA . 53788 1 1204 . 1 . 1 250 250 HIS CB C 13 31.878 0.002 . 1 . . . . . 250 HIS CB . 53788 1 1205 . 1 . 1 250 250 HIS N N 15 115.362 0.027 . 1 . . . . . 250 HIS N . 53788 1 1206 . 1 . 1 251 251 LEU H H 1 7.500 0.003 . 1 . . . . . 251 LEU H . 53788 1 1207 . 1 . 1 251 251 LEU C C 13 177.654 0.010 . 1 . . . . . 251 LEU C . 53788 1 1208 . 1 . 1 251 251 LEU CA C 13 58.150 0.144 . 1 . . . . . 251 LEU CA . 53788 1 1209 . 1 . 1 251 251 LEU CB C 13 41.567 0.148 . 1 . . . . . 251 LEU CB . 53788 1 1210 . 1 . 1 251 251 LEU N N 15 120.941 0.033 . 1 . . . . . 251 LEU N . 53788 1 1211 . 1 . 1 252 252 ASN H H 1 8.030 0.006 . 1 . . . . . 252 ASN H . 53788 1 1212 . 1 . 1 252 252 ASN HD21 H 1 6.807 0.002 . 2 . . . . . 252 ASN HD21 . 53788 1 1213 . 1 . 1 252 252 ASN HD22 H 1 7.523 0.001 . 2 . . . . . 252 ASN HD22 . 53788 1 1214 . 1 . 1 252 252 ASN C C 13 175.069 0.006 . 1 . . . . . 252 ASN C . 53788 1 1215 . 1 . 1 252 252 ASN CA C 13 52.706 0.083 . 1 . . . . . 252 ASN CA . 53788 1 1216 . 1 . 1 252 252 ASN CB C 13 41.539 0.055 . 1 . . . . . 252 ASN CB . 53788 1 1217 . 1 . 1 252 252 ASN CG C 13 176.821 0.009 . 1 . . . . . 252 ASN CG . 53788 1 1218 . 1 . 1 252 252 ASN N N 15 111.882 0.024 . 1 . . . . . 252 ASN N . 53788 1 1219 . 1 . 1 252 252 ASN ND2 N 15 113.002 0.031 . 1 . . . . . 252 ASN ND2 . 53788 1 1220 . 1 . 1 253 253 GLY H H 1 7.767 0.001 . 1 . . . . . 253 GLY H . 53788 1 1221 . 1 . 1 253 253 GLY CA C 13 44.904 0.071 . 1 . . . . . 253 GLY CA . 53788 1 1222 . 1 . 1 253 253 GLY N N 15 113.316 17.481 . 1 . . . . . 253 GLY N . 53788 1 1223 . 1 . 1 254 254 PRO C C 13 177.400 0.006 . 1 . . . . . 254 PRO C . 53788 1 1224 . 1 . 1 254 254 PRO CA C 13 63.027 0.087 . 1 . . . . . 254 PRO CA . 53788 1 1225 . 1 . 1 254 254 PRO CB C 13 31.960 0.019 . 1 . . . . . 254 PRO CB . 53788 1 1226 . 1 . 1 255 255 LEU H H 1 8.553 0.003 . 1 . . . . . 255 LEU H . 53788 1 1227 . 1 . 1 255 255 LEU C C 13 174.980 0.000 . 1 . . . . . 255 LEU C . 53788 1 1228 . 1 . 1 255 255 LEU CA C 13 52.546 0.058 . 1 . . . . . 255 LEU CA . 53788 1 1229 . 1 . 1 255 255 LEU CB C 13 41.917 0.000 . 1 . . . . . 255 LEU CB . 53788 1 1230 . 1 . 1 255 255 LEU N N 15 124.159 0.010 . 1 . . . . . 255 LEU N . 53788 1 1231 . 1 . 1 256 256 PRO C C 13 173.119 0.021 . 1 . . . . . 256 PRO C . 53788 1 1232 . 1 . 1 256 256 PRO CA C 13 62.156 0.123 . 1 . . . . . 256 PRO CA . 53788 1 1233 . 1 . 1 256 256 PRO CB C 13 31.875 0.071 . 1 . . . . . 256 PRO CB . 53788 1 1234 . 1 . 1 257 257 VAL H H 1 7.653 0.001 . 1 . . . . . 257 VAL H . 53788 1 1235 . 1 . 1 257 257 VAL C C 13 174.911 0.000 . 1 . . . . . 257 VAL C . 53788 1 1236 . 1 . 1 257 257 VAL CA C 13 58.566 0.026 . 1 . . . . . 257 VAL CA . 53788 1 1237 . 1 . 1 257 257 VAL CB C 13 33.627 0.000 . 1 . . . . . 257 VAL CB . 53788 1 1238 . 1 . 1 257 257 VAL N N 15 114.428 0.021 . 1 . . . . . 257 VAL N . 53788 1 1239 . 1 . 1 258 258 PRO C C 13 176.040 0.000 . 1 . . . . . 258 PRO C . 53788 1 1240 . 1 . 1 258 258 PRO CA C 13 63.487 0.114 . 1 . . . . . 258 PRO CA . 53788 1 1241 . 1 . 1 258 258 PRO CB C 13 32.104 0.060 . 1 . . . . . 258 PRO CB . 53788 1 1242 . 1 . 1 259 259 PHE H H 1 7.915 0.001 . 1 . . . . . 259 PHE H . 53788 1 1243 . 1 . 1 259 259 PHE C C 13 176.093 0.013 . 1 . . . . . 259 PHE C . 53788 1 1244 . 1 . 1 259 259 PHE CA C 13 58.353 0.141 . 1 . . . . . 259 PHE CA . 53788 1 1245 . 1 . 1 259 259 PHE CB C 13 39.663 0.143 . 1 . . . . . 259 PHE CB . 53788 1 1246 . 1 . 1 259 259 PHE N N 15 121.596 0.024 . 1 . . . . . 259 PHE N . 53788 1 1247 . 1 . 1 260 260 THR H H 1 8.037 0.002 . 1 . . . . . 260 THR H . 53788 1 1248 . 1 . 1 260 260 THR C C 13 173.742 0.001 . 1 . . . . . 260 THR C . 53788 1 1249 . 1 . 1 260 260 THR CA C 13 61.226 0.028 . 1 . . . . . 260 THR CA . 53788 1 1250 . 1 . 1 260 260 THR CB C 13 69.827 0.119 . 1 . . . . . 260 THR CB . 53788 1 1251 . 1 . 1 260 260 THR N N 15 116.463 0.027 . 1 . . . . . 260 THR N . 53788 1 1252 . 1 . 1 261 261 ASN H H 1 8.213 0.004 . 1 . . . . . 261 ASN H . 53788 1 1253 . 1 . 1 261 261 ASN HD21 H 1 6.841 0.003 . 2 . . . . . 261 ASN HD21 . 53788 1 1254 . 1 . 1 261 261 ASN HD22 H 1 7.513 0.002 . 2 . . . . . 261 ASN HD22 . 53788 1 1255 . 1 . 1 261 261 ASN C C 13 175.549 0.012 . 1 . . . . . 261 ASN C . 53788 1 1256 . 1 . 1 261 261 ASN CA C 13 53.331 0.127 . 1 . . . . . 261 ASN CA . 53788 1 1257 . 1 . 1 261 261 ASN CB C 13 39.045 0.094 . 1 . . . . . 261 ASN CB . 53788 1 1258 . 1 . 1 261 261 ASN CG C 13 177.075 0.011 . 1 . . . . . 261 ASN CG . 53788 1 1259 . 1 . 1 261 261 ASN N N 15 120.664 0.040 . 1 . . . . . 261 ASN N . 53788 1 1260 . 1 . 1 261 261 ASN ND2 N 15 112.615 0.060 . 1 . . . . . 261 ASN ND2 . 53788 1 1261 . 1 . 1 262 262 GLY H H 1 8.286 0.003 . 1 . . . . . 262 GLY H . 53788 1 1262 . 1 . 1 262 262 GLY C C 13 173.986 0.019 . 1 . . . . . 262 GLY C . 53788 1 1263 . 1 . 1 262 262 GLY CA C 13 45.364 0.031 . 1 . . . . . 262 GLY CA . 53788 1 1264 . 1 . 1 262 262 GLY N N 15 109.066 0.009 . 1 . . . . . 262 GLY N . 53788 1 1265 . 1 . 1 263 263 GLU H H 1 8.153 0.002 . 1 . . . . . 263 GLU H . 53788 1 1266 . 1 . 1 263 263 GLU C C 13 176.603 0.002 . 1 . . . . . 263 GLU C . 53788 1 1267 . 1 . 1 263 263 GLU CA C 13 56.490 0.066 . 1 . . . . . 263 GLU CA . 53788 1 1268 . 1 . 1 263 263 GLU CB C 13 30.208 0.043 . 1 . . . . . 263 GLU CB . 53788 1 1269 . 1 . 1 263 263 GLU N N 15 120.552 0.023 . 1 . . . . . 263 GLU N . 53788 1 1270 . 1 . 1 264 264 ILE H H 1 8.112 0.002 . 1 . . . . . 264 ILE H . 53788 1 1271 . 1 . 1 264 264 ILE C C 13 176.240 0.013 . 1 . . . . . 264 ILE C . 53788 1 1272 . 1 . 1 264 264 ILE CA C 13 60.435 1.757 . 1 . . . . . 264 ILE CA . 53788 1 1273 . 1 . 1 264 264 ILE CB C 13 38.532 0.017 . 1 . . . . . 264 ILE CB . 53788 1 1274 . 1 . 1 264 264 ILE N N 15 122.017 0.039 . 1 . . . . . 264 ILE N . 53788 1 1275 . 1 . 1 265 265 GLN H H 1 8.368 0.002 . 1 . . . . . 265 GLN H . 53788 1 1276 . 1 . 1 265 265 GLN C C 13 175.845 0.004 . 1 . . . . . 265 GLN C . 53788 1 1277 . 1 . 1 265 265 GLN CA C 13 55.773 0.050 . 1 . . . . . 265 GLN CA . 53788 1 1278 . 1 . 1 265 265 GLN CB C 13 29.242 0.016 . 1 . . . . . 265 GLN CB . 53788 1 1279 . 1 . 1 265 265 GLN N N 15 124.632 0.046 . 1 . . . . . 265 GLN N . 53788 1 1280 . 1 . 1 266 266 LYS H H 1 8.288 0.001 . 1 . . . . . 266 LYS H . 53788 1 1281 . 1 . 1 266 266 LYS C C 13 176.606 0.004 . 1 . . . . . 266 LYS C . 53788 1 1282 . 1 . 1 266 266 LYS CA C 13 56.458 0.077 . 1 . . . . . 266 LYS CA . 53788 1 1283 . 1 . 1 266 266 LYS CB C 13 33.138 0.029 . 1 . . . . . 266 LYS CB . 53788 1 1284 . 1 . 1 266 266 LYS N N 15 123.269 0.018 . 1 . . . . . 266 LYS N . 53788 1 1285 . 1 . 1 267 267 GLU H H 1 8.445 0.002 . 1 . . . . . 267 GLU H . 53788 1 1286 . 1 . 1 267 267 GLU C C 13 176.296 0.012 . 1 . . . . . 267 GLU C . 53788 1 1287 . 1 . 1 267 267 GLU CA C 13 56.752 0.071 . 1 . . . . . 267 GLU CA . 53788 1 1288 . 1 . 1 267 267 GLU CB C 13 30.066 0.089 . 1 . . . . . 267 GLU CB . 53788 1 1289 . 1 . 1 267 267 GLU N N 15 121.973 0.016 . 1 . . . . . 267 GLU N . 53788 1 1290 . 1 . 1 268 268 ASN H H 1 8.433 0.002 . 1 . . . . . 268 ASN H . 53788 1 1291 . 1 . 1 268 268 ASN C C 13 175.280 0.007 . 1 . . . . . 268 ASN C . 53788 1 1292 . 1 . 1 268 268 ASN CA C 13 53.281 0.042 . 1 . . . . . 268 ASN CA . 53788 1 1293 . 1 . 1 268 268 ASN CB C 13 38.906 0.050 . 1 . . . . . 268 ASN CB . 53788 1 1294 . 1 . 1 268 268 ASN N N 15 119.799 0.024 . 1 . . . . . 268 ASN N . 53788 1 1295 . 1 . 1 269 269 SER H H 1 8.198 0.001 . 1 . . . . . 269 SER H . 53788 1 1296 . 1 . 1 269 269 SER C C 13 174.703 0.013 . 1 . . . . . 269 SER C . 53788 1 1297 . 1 . 1 269 269 SER CA C 13 58.566 0.148 . 1 . . . . . 269 SER CA . 53788 1 1298 . 1 . 1 269 269 SER CB C 13 63.610 0.087 . 1 . . . . . 269 SER CB . 53788 1 1299 . 1 . 1 269 269 SER N N 15 116.276 0.028 . 1 . . . . . 269 SER N . 53788 1 1300 . 1 . 1 270 270 ARG H H 1 8.333 0.004 . 1 . . . . . 270 ARG H . 53788 1 1301 . 1 . 1 270 270 ARG C C 13 176.641 0.003 . 1 . . . . . 270 ARG C . 53788 1 1302 . 1 . 1 270 270 ARG CA C 13 56.515 0.079 . 1 . . . . . 270 ARG CA . 53788 1 1303 . 1 . 1 270 270 ARG CB C 13 30.647 0.151 . 1 . . . . . 270 ARG CB . 53788 1 1304 . 1 . 1 270 270 ARG N N 15 122.704 0.014 . 1 . . . . . 270 ARG N . 53788 1 1305 . 1 . 1 271 271 GLU H H 1 8.306 0.001 . 1 . . . . . 271 GLU H . 53788 1 1306 . 1 . 1 271 271 GLU C C 13 176.390 0.007 . 1 . . . . . 271 GLU C . 53788 1 1307 . 1 . 1 271 271 GLU CA C 13 57.017 0.082 . 1 . . . . . 271 GLU CA . 53788 1 1308 . 1 . 1 271 271 GLU CB C 13 29.960 0.075 . 1 . . . . . 271 GLU CB . 53788 1 1309 . 1 . 1 271 271 GLU N N 15 121.339 0.023 . 1 . . . . . 271 GLU N . 53788 1 1310 . 1 . 1 272 272 ALA H H 1 8.140 0.002 . 1 . . . . . 272 ALA H . 53788 1 1311 . 1 . 1 272 272 ALA C C 13 177.888 0.014 . 1 . . . . . 272 ALA C . 53788 1 1312 . 1 . 1 272 272 ALA CA C 13 52.578 0.096 . 1 . . . . . 272 ALA CA . 53788 1 1313 . 1 . 1 272 272 ALA CB C 13 18.939 0.034 . 1 . . . . . 272 ALA CB . 53788 1 1314 . 1 . 1 272 272 ALA N N 15 124.600 0.019 . 1 . . . . . 272 ALA N . 53788 1 1315 . 1 . 1 273 273 LEU H H 1 8.040 0.003 . 1 . . . . . 273 LEU H . 53788 1 1316 . 1 . 1 273 273 LEU C C 13 177.340 0.010 . 1 . . . . . 273 LEU C . 53788 1 1317 . 1 . 1 273 273 LEU CA C 13 55.211 0.060 . 1 . . . . . 273 LEU CA . 53788 1 1318 . 1 . 1 273 273 LEU CB C 13 42.208 0.015 . 1 . . . . . 273 LEU CB . 53788 1 1319 . 1 . 1 273 273 LEU N N 15 121.106 0.052 . 1 . . . . . 273 LEU N . 53788 1 1320 . 1 . 1 274 274 ALA H H 1 8.100 0.001 . 1 . . . . . 274 ALA H . 53788 1 1321 . 1 . 1 274 274 ALA C C 13 177.927 0.011 . 1 . . . . . 274 ALA C . 53788 1 1322 . 1 . 1 274 274 ALA CA C 13 52.636 0.068 . 1 . . . . . 274 ALA CA . 53788 1 1323 . 1 . 1 274 274 ALA CB C 13 18.970 0.072 . 1 . . . . . 274 ALA CB . 53788 1 1324 . 1 . 1 274 274 ALA N N 15 124.575 0.019 . 1 . . . . . 274 ALA N . 53788 1 1325 . 1 . 1 275 275 GLU H H 1 8.200 0.001 . 1 . . . . . 275 GLU H . 53788 1 1326 . 1 . 1 275 275 GLU C C 13 176.384 0.008 . 1 . . . . . 275 GLU C . 53788 1 1327 . 1 . 1 275 275 GLU CA C 13 56.660 0.046 . 1 . . . . . 275 GLU CA . 53788 1 1328 . 1 . 1 275 275 GLU CB C 13 30.108 0.059 . 1 . . . . . 275 GLU CB . 53788 1 1329 . 1 . 1 275 275 GLU N N 15 119.782 0.017 . 1 . . . . . 275 GLU N . 53788 1 1330 . 1 . 1 276 276 ALA H H 1 8.102 0.001 . 1 . . . . . 276 ALA H . 53788 1 1331 . 1 . 1 276 276 ALA C C 13 177.342 0.011 . 1 . . . . . 276 ALA C . 53788 1 1332 . 1 . 1 276 276 ALA CA C 13 52.402 0.064 . 1 . . . . . 276 ALA CA . 53788 1 1333 . 1 . 1 276 276 ALA CB C 13 19.093 0.000 . 1 . . . . . 276 ALA CB . 53788 1 1334 . 1 . 1 276 276 ALA N N 15 124.609 0.012 . 1 . . . . . 276 ALA N . 53788 1 1335 . 1 . 1 277 277 ALA H H 1 8.089 0.001 . 1 . . . . . 277 ALA H . 53788 1 1336 . 1 . 1 277 277 ALA C C 13 177.567 0.006 . 1 . . . . . 277 ALA C . 53788 1 1337 . 1 . 1 277 277 ALA CA C 13 52.299 0.061 . 1 . . . . . 277 ALA CA . 53788 1 1338 . 1 . 1 277 277 ALA CB C 13 19.055 0.008 . 1 . . . . . 277 ALA CB . 53788 1 1339 . 1 . 1 277 277 ALA N N 15 123.021 0.032 . 1 . . . . . 277 ALA N . 53788 1 1340 . 1 . 1 278 278 LEU H H 1 8.057 0.002 . 1 . . . . . 278 LEU H . 53788 1 1341 . 1 . 1 278 278 LEU C C 13 177.320 0.001 . 1 . . . . . 278 LEU C . 53788 1 1342 . 1 . 1 278 278 LEU CA C 13 55.163 0.093 . 1 . . . . . 278 LEU CA . 53788 1 1343 . 1 . 1 278 278 LEU CB C 13 42.416 0.041 . 1 . . . . . 278 LEU CB . 53788 1 1344 . 1 . 1 278 278 LEU N N 15 121.320 0.017 . 1 . . . . . 278 LEU N . 53788 1 1345 . 1 . 1 279 279 GLU H H 1 8.247 0.004 . 1 . . . . . 279 GLU H . 53788 1 1346 . 1 . 1 279 279 GLU C C 13 175.492 0.009 . 1 . . . . . 279 GLU C . 53788 1 1347 . 1 . 1 279 279 GLU CA C 13 56.440 0.090 . 1 . . . . . 279 GLU CA . 53788 1 1348 . 1 . 1 279 279 GLU CB C 13 30.395 0.000 . 1 . . . . . 279 GLU CB . 53788 1 1349 . 1 . 1 279 279 GLU N N 15 121.760 0.021 . 1 . . . . . 279 GLU N . 53788 1 1350 . 1 . 1 280 280 SER H H 1 7.858 0.001 . 1 . . . . . 280 SER H . 53788 1 1351 . 1 . 1 280 280 SER C C 13 178.501 0.000 . 1 . . . . . 280 SER C . 53788 1 1352 . 1 . 1 280 280 SER CA C 13 59.936 0.003 . 1 . . . . . 280 SER CA . 53788 1 1353 . 1 . 1 280 280 SER CB C 13 64.838 0.000 . 1 . . . . . 280 SER CB . 53788 1 1354 . 1 . 1 280 280 SER N N 15 122.246 0.008 . 1 . . . . . 280 SER N . 53788 1 stop_ save_