data_5468 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5468 _Entry.Title ; Backbone 1H, 13C, 15N and Cb chemical shift assignments for 6-phosphogluconolactonase from Trypanosoma brucei ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-07-22 _Entry.Accession_date 2002-07-22 _Entry.Last_release_date 2002-07-22 _Entry.Original_release_date 2002-07-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 . 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 Emeric Miclet . . . . 5468 2 Francis Duffieux . . . . 5468 3 Jean-Yves Lallemand . . . . 5468 4 Veronique Stoven . . . . 5468 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5468 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 748 5468 '15N chemical shifts' 240 5468 '1H chemical shifts' 466 5468 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2002-08-22 . original author 'original release' 5468 2 . . 2003-01-06 . update author 'addition of HA assignment' 5468 1 . . 2003-03-18 . update BMRB 'entry citation updated and temperature values updated to Kelvin' 5468 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5468 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Backbone HN, N, Ca, C', and Cb assignment of the 6-phosphogluconolactonase, a 266-residue enzyme of the pentose-phosphate pathway from human parasite Trypanosoma brucei. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 25 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 249 _Citation.Page_last 250 _Citation.Year 2003 _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 Emeric Miclet . . . . 5468 1 2 Francis Duffieux . . . . 5468 1 3 Jean-Yves Lallemand . . . . 5468 1 4 Veronique Stoven . . . . 5468 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_6PGL _Assembly.Sf_category assembly _Assembly.Sf_framecode system_6PGL _Assembly.Entry_ID 5468 _Assembly.ID 1 _Assembly.Name 6-phosphogluconolactonase _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'other bound and free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 3.1.1.31 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5468 1 stop_ 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 6PGL 1 $6PGL . . . native . . . . . 5468 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 6-phosphogluconolactonase system 5468 1 6PGL abbreviation 5468 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID hydrolase 5468 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_6PGL _Entity.Sf_category entity _Entity.Sf_framecode 6PGL _Entity.Entry_ID 5468 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 6-phosphogluconolactonase _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 ; MSFKPTISVHATPQELSAAG CRKIVEIIEASGSQQWPLSI ALAGGSTPKMTYARLHDEHL NLLREKRALRFFMGDERMVP ADSTDSNYNMAREVLLHDIP DDLVFPFDTSAVTPSAEATS ADAMRVAEAYGKQLASLLPL KSVGEAGPKVPVFDVVLLGL GSDGHTASIFPGSQAEKETD GKVVVSVGFPSETMKPKVWR VTLSPATIMQARNVIVLATG AEKKWVVDGILADTAHKAPV ARFLRGCEGNVSFLLDKEIA ENLAKF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 266 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'other bound and free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 28645 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The protein contains a Peroxisome-Targeting Signal 1 (PTS1) at the C-terminus (AKF). ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 6-phosphogluconolactonase common 5468 1 6PGL abbreviation 5468 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5468 1 2 . SER . 5468 1 3 . PHE . 5468 1 4 . LYS . 5468 1 5 . PRO . 5468 1 6 . THR . 5468 1 7 . ILE . 5468 1 8 . SER . 5468 1 9 . VAL . 5468 1 10 . HIS . 5468 1 11 . ALA . 5468 1 12 . THR . 5468 1 13 . PRO . 5468 1 14 . GLN . 5468 1 15 . GLU . 5468 1 16 . LEU . 5468 1 17 . SER . 5468 1 18 . ALA . 5468 1 19 . ALA . 5468 1 20 . GLY . 5468 1 21 . CYS . 5468 1 22 . ARG . 5468 1 23 . LYS . 5468 1 24 . ILE . 5468 1 25 . VAL . 5468 1 26 . GLU . 5468 1 27 . ILE . 5468 1 28 . ILE . 5468 1 29 . GLU . 5468 1 30 . ALA . 5468 1 31 . SER . 5468 1 32 . GLY . 5468 1 33 . SER . 5468 1 34 . GLN . 5468 1 35 . GLN . 5468 1 36 . TRP . 5468 1 37 . PRO . 5468 1 38 . LEU . 5468 1 39 . SER . 5468 1 40 . ILE . 5468 1 41 . ALA . 5468 1 42 . LEU . 5468 1 43 . ALA . 5468 1 44 . GLY . 5468 1 45 . GLY . 5468 1 46 . SER . 5468 1 47 . THR . 5468 1 48 . PRO . 5468 1 49 . LYS . 5468 1 50 . MET . 5468 1 51 . THR . 5468 1 52 . TYR . 5468 1 53 . ALA . 5468 1 54 . ARG . 5468 1 55 . LEU . 5468 1 56 . HIS . 5468 1 57 . ASP . 5468 1 58 . GLU . 5468 1 59 . HIS . 5468 1 60 . LEU . 5468 1 61 . ASN . 5468 1 62 . LEU . 5468 1 63 . LEU . 5468 1 64 . ARG . 5468 1 65 . GLU . 5468 1 66 . LYS . 5468 1 67 . ARG . 5468 1 68 . ALA . 5468 1 69 . LEU . 5468 1 70 . ARG . 5468 1 71 . PHE . 5468 1 72 . PHE . 5468 1 73 . MET . 5468 1 74 . GLY . 5468 1 75 . ASP . 5468 1 76 . GLU . 5468 1 77 . ARG . 5468 1 78 . MET . 5468 1 79 . VAL . 5468 1 80 . PRO . 5468 1 81 . ALA . 5468 1 82 . ASP . 5468 1 83 . SER . 5468 1 84 . THR . 5468 1 85 . ASP . 5468 1 86 . SER . 5468 1 87 . ASN . 5468 1 88 . TYR . 5468 1 89 . ASN . 5468 1 90 . MET . 5468 1 91 . ALA . 5468 1 92 . ARG . 5468 1 93 . GLU . 5468 1 94 . VAL . 5468 1 95 . LEU . 5468 1 96 . LEU . 5468 1 97 . HIS . 5468 1 98 . ASP . 5468 1 99 . ILE . 5468 1 100 . PRO . 5468 1 101 . ASP . 5468 1 102 . ASP . 5468 1 103 . LEU . 5468 1 104 . VAL . 5468 1 105 . PHE . 5468 1 106 . PRO . 5468 1 107 . PHE . 5468 1 108 . ASP . 5468 1 109 . THR . 5468 1 110 . SER . 5468 1 111 . ALA . 5468 1 112 . VAL . 5468 1 113 . THR . 5468 1 114 . PRO . 5468 1 115 . SER . 5468 1 116 . ALA . 5468 1 117 . GLU . 5468 1 118 . ALA . 5468 1 119 . THR . 5468 1 120 . SER . 5468 1 121 . ALA . 5468 1 122 . ASP . 5468 1 123 . ALA . 5468 1 124 . MET . 5468 1 125 . ARG . 5468 1 126 . VAL . 5468 1 127 . ALA . 5468 1 128 . GLU . 5468 1 129 . ALA . 5468 1 130 . TYR . 5468 1 131 . GLY . 5468 1 132 . LYS . 5468 1 133 . GLN . 5468 1 134 . LEU . 5468 1 135 . ALA . 5468 1 136 . SER . 5468 1 137 . LEU . 5468 1 138 . LEU . 5468 1 139 . PRO . 5468 1 140 . LEU . 5468 1 141 . LYS . 5468 1 142 . SER . 5468 1 143 . VAL . 5468 1 144 . GLY . 5468 1 145 . GLU . 5468 1 146 . ALA . 5468 1 147 . GLY . 5468 1 148 . PRO . 5468 1 149 . LYS . 5468 1 150 . VAL . 5468 1 151 . PRO . 5468 1 152 . VAL . 5468 1 153 . PHE . 5468 1 154 . ASP . 5468 1 155 . VAL . 5468 1 156 . VAL . 5468 1 157 . LEU . 5468 1 158 . LEU . 5468 1 159 . GLY . 5468 1 160 . LEU . 5468 1 161 . GLY . 5468 1 162 . SER . 5468 1 163 . ASP . 5468 1 164 . GLY . 5468 1 165 . HIS . 5468 1 166 . THR . 5468 1 167 . ALA . 5468 1 168 . SER . 5468 1 169 . ILE . 5468 1 170 . PHE . 5468 1 171 . PRO . 5468 1 172 . GLY . 5468 1 173 . SER . 5468 1 174 . GLN . 5468 1 175 . ALA . 5468 1 176 . GLU . 5468 1 177 . LYS . 5468 1 178 . GLU . 5468 1 179 . THR . 5468 1 180 . ASP . 5468 1 181 . GLY . 5468 1 182 . LYS . 5468 1 183 . VAL . 5468 1 184 . VAL . 5468 1 185 . VAL . 5468 1 186 . SER . 5468 1 187 . VAL . 5468 1 188 . GLY . 5468 1 189 . PHE . 5468 1 190 . PRO . 5468 1 191 . SER . 5468 1 192 . GLU . 5468 1 193 . THR . 5468 1 194 . MET . 5468 1 195 . LYS . 5468 1 196 . PRO . 5468 1 197 . LYS . 5468 1 198 . VAL . 5468 1 199 . TRP . 5468 1 200 . ARG . 5468 1 201 . VAL . 5468 1 202 . THR . 5468 1 203 . LEU . 5468 1 204 . SER . 5468 1 205 . PRO . 5468 1 206 . ALA . 5468 1 207 . THR . 5468 1 208 . ILE . 5468 1 209 . MET . 5468 1 210 . GLN . 5468 1 211 . ALA . 5468 1 212 . ARG . 5468 1 213 . ASN . 5468 1 214 . VAL . 5468 1 215 . ILE . 5468 1 216 . VAL . 5468 1 217 . LEU . 5468 1 218 . ALA . 5468 1 219 . THR . 5468 1 220 . GLY . 5468 1 221 . ALA . 5468 1 222 . GLU . 5468 1 223 . LYS . 5468 1 224 . LYS . 5468 1 225 . TRP . 5468 1 226 . VAL . 5468 1 227 . VAL . 5468 1 228 . ASP . 5468 1 229 . GLY . 5468 1 230 . ILE . 5468 1 231 . LEU . 5468 1 232 . ALA . 5468 1 233 . ASP . 5468 1 234 . THR . 5468 1 235 . ALA . 5468 1 236 . HIS . 5468 1 237 . LYS . 5468 1 238 . ALA . 5468 1 239 . PRO . 5468 1 240 . VAL . 5468 1 241 . ALA . 5468 1 242 . ARG . 5468 1 243 . PHE . 5468 1 244 . LEU . 5468 1 245 . ARG . 5468 1 246 . GLY . 5468 1 247 . CYS . 5468 1 248 . GLU . 5468 1 249 . GLY . 5468 1 250 . ASN . 5468 1 251 . VAL . 5468 1 252 . SER . 5468 1 253 . PHE . 5468 1 254 . LEU . 5468 1 255 . LEU . 5468 1 256 . ASP . 5468 1 257 . LYS . 5468 1 258 . GLU . 5468 1 259 . ILE . 5468 1 260 . ALA . 5468 1 261 . GLU . 5468 1 262 . ASN . 5468 1 263 . LEU . 5468 1 264 . ALA . 5468 1 265 . LYS . 5468 1 266 . PHE . 5468 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 5468 1 . SER 2 2 5468 1 . PHE 3 3 5468 1 . LYS 4 4 5468 1 . PRO 5 5 5468 1 . THR 6 6 5468 1 . ILE 7 7 5468 1 . SER 8 8 5468 1 . VAL 9 9 5468 1 . HIS 10 10 5468 1 . ALA 11 11 5468 1 . THR 12 12 5468 1 . PRO 13 13 5468 1 . GLN 14 14 5468 1 . GLU 15 15 5468 1 . LEU 16 16 5468 1 . SER 17 17 5468 1 . ALA 18 18 5468 1 . ALA 19 19 5468 1 . GLY 20 20 5468 1 . CYS 21 21 5468 1 . ARG 22 22 5468 1 . LYS 23 23 5468 1 . ILE 24 24 5468 1 . VAL 25 25 5468 1 . GLU 26 26 5468 1 . ILE 27 27 5468 1 . ILE 28 28 5468 1 . GLU 29 29 5468 1 . ALA 30 30 5468 1 . SER 31 31 5468 1 . GLY 32 32 5468 1 . SER 33 33 5468 1 . GLN 34 34 5468 1 . GLN 35 35 5468 1 . TRP 36 36 5468 1 . PRO 37 37 5468 1 . LEU 38 38 5468 1 . SER 39 39 5468 1 . ILE 40 40 5468 1 . ALA 41 41 5468 1 . LEU 42 42 5468 1 . ALA 43 43 5468 1 . GLY 44 44 5468 1 . GLY 45 45 5468 1 . SER 46 46 5468 1 . THR 47 47 5468 1 . PRO 48 48 5468 1 . LYS 49 49 5468 1 . MET 50 50 5468 1 . THR 51 51 5468 1 . TYR 52 52 5468 1 . ALA 53 53 5468 1 . ARG 54 54 5468 1 . LEU 55 55 5468 1 . HIS 56 56 5468 1 . ASP 57 57 5468 1 . GLU 58 58 5468 1 . HIS 59 59 5468 1 . LEU 60 60 5468 1 . ASN 61 61 5468 1 . LEU 62 62 5468 1 . LEU 63 63 5468 1 . ARG 64 64 5468 1 . GLU 65 65 5468 1 . LYS 66 66 5468 1 . ARG 67 67 5468 1 . ALA 68 68 5468 1 . LEU 69 69 5468 1 . ARG 70 70 5468 1 . PHE 71 71 5468 1 . PHE 72 72 5468 1 . MET 73 73 5468 1 . GLY 74 74 5468 1 . ASP 75 75 5468 1 . GLU 76 76 5468 1 . ARG 77 77 5468 1 . MET 78 78 5468 1 . VAL 79 79 5468 1 . PRO 80 80 5468 1 . ALA 81 81 5468 1 . ASP 82 82 5468 1 . SER 83 83 5468 1 . THR 84 84 5468 1 . ASP 85 85 5468 1 . SER 86 86 5468 1 . ASN 87 87 5468 1 . TYR 88 88 5468 1 . ASN 89 89 5468 1 . MET 90 90 5468 1 . ALA 91 91 5468 1 . ARG 92 92 5468 1 . GLU 93 93 5468 1 . VAL 94 94 5468 1 . LEU 95 95 5468 1 . LEU 96 96 5468 1 . HIS 97 97 5468 1 . ASP 98 98 5468 1 . ILE 99 99 5468 1 . PRO 100 100 5468 1 . ASP 101 101 5468 1 . ASP 102 102 5468 1 . LEU 103 103 5468 1 . VAL 104 104 5468 1 . PHE 105 105 5468 1 . PRO 106 106 5468 1 . PHE 107 107 5468 1 . ASP 108 108 5468 1 . THR 109 109 5468 1 . SER 110 110 5468 1 . ALA 111 111 5468 1 . VAL 112 112 5468 1 . THR 113 113 5468 1 . PRO 114 114 5468 1 . SER 115 115 5468 1 . ALA 116 116 5468 1 . GLU 117 117 5468 1 . ALA 118 118 5468 1 . THR 119 119 5468 1 . SER 120 120 5468 1 . ALA 121 121 5468 1 . ASP 122 122 5468 1 . ALA 123 123 5468 1 . MET 124 124 5468 1 . ARG 125 125 5468 1 . VAL 126 126 5468 1 . ALA 127 127 5468 1 . GLU 128 128 5468 1 . ALA 129 129 5468 1 . TYR 130 130 5468 1 . GLY 131 131 5468 1 . LYS 132 132 5468 1 . GLN 133 133 5468 1 . LEU 134 134 5468 1 . ALA 135 135 5468 1 . SER 136 136 5468 1 . LEU 137 137 5468 1 . LEU 138 138 5468 1 . PRO 139 139 5468 1 . LEU 140 140 5468 1 . LYS 141 141 5468 1 . SER 142 142 5468 1 . VAL 143 143 5468 1 . GLY 144 144 5468 1 . GLU 145 145 5468 1 . ALA 146 146 5468 1 . GLY 147 147 5468 1 . PRO 148 148 5468 1 . LYS 149 149 5468 1 . VAL 150 150 5468 1 . PRO 151 151 5468 1 . VAL 152 152 5468 1 . PHE 153 153 5468 1 . ASP 154 154 5468 1 . VAL 155 155 5468 1 . VAL 156 156 5468 1 . LEU 157 157 5468 1 . LEU 158 158 5468 1 . GLY 159 159 5468 1 . LEU 160 160 5468 1 . GLY 161 161 5468 1 . SER 162 162 5468 1 . ASP 163 163 5468 1 . GLY 164 164 5468 1 . HIS 165 165 5468 1 . THR 166 166 5468 1 . ALA 167 167 5468 1 . SER 168 168 5468 1 . ILE 169 169 5468 1 . PHE 170 170 5468 1 . PRO 171 171 5468 1 . GLY 172 172 5468 1 . SER 173 173 5468 1 . GLN 174 174 5468 1 . ALA 175 175 5468 1 . GLU 176 176 5468 1 . LYS 177 177 5468 1 . GLU 178 178 5468 1 . THR 179 179 5468 1 . ASP 180 180 5468 1 . GLY 181 181 5468 1 . LYS 182 182 5468 1 . VAL 183 183 5468 1 . VAL 184 184 5468 1 . VAL 185 185 5468 1 . SER 186 186 5468 1 . VAL 187 187 5468 1 . GLY 188 188 5468 1 . PHE 189 189 5468 1 . PRO 190 190 5468 1 . SER 191 191 5468 1 . GLU 192 192 5468 1 . THR 193 193 5468 1 . MET 194 194 5468 1 . LYS 195 195 5468 1 . PRO 196 196 5468 1 . LYS 197 197 5468 1 . VAL 198 198 5468 1 . TRP 199 199 5468 1 . ARG 200 200 5468 1 . VAL 201 201 5468 1 . THR 202 202 5468 1 . LEU 203 203 5468 1 . SER 204 204 5468 1 . PRO 205 205 5468 1 . ALA 206 206 5468 1 . THR 207 207 5468 1 . ILE 208 208 5468 1 . MET 209 209 5468 1 . GLN 210 210 5468 1 . ALA 211 211 5468 1 . ARG 212 212 5468 1 . ASN 213 213 5468 1 . VAL 214 214 5468 1 . ILE 215 215 5468 1 . VAL 216 216 5468 1 . LEU 217 217 5468 1 . ALA 218 218 5468 1 . THR 219 219 5468 1 . GLY 220 220 5468 1 . ALA 221 221 5468 1 . GLU 222 222 5468 1 . LYS 223 223 5468 1 . LYS 224 224 5468 1 . TRP 225 225 5468 1 . VAL 226 226 5468 1 . VAL 227 227 5468 1 . ASP 228 228 5468 1 . GLY 229 229 5468 1 . ILE 230 230 5468 1 . LEU 231 231 5468 1 . ALA 232 232 5468 1 . ASP 233 233 5468 1 . THR 234 234 5468 1 . ALA 235 235 5468 1 . HIS 236 236 5468 1 . LYS 237 237 5468 1 . ALA 238 238 5468 1 . PRO 239 239 5468 1 . VAL 240 240 5468 1 . ALA 241 241 5468 1 . ARG 242 242 5468 1 . PHE 243 243 5468 1 . LEU 244 244 5468 1 . ARG 245 245 5468 1 . GLY 246 246 5468 1 . CYS 247 247 5468 1 . GLU 248 248 5468 1 . GLY 249 249 5468 1 . ASN 250 250 5468 1 . VAL 251 251 5468 1 . SER 252 252 5468 1 . PHE 253 253 5468 1 . LEU 254 254 5468 1 . LEU 255 255 5468 1 . ASP 256 256 5468 1 . LYS 257 257 5468 1 . GLU 258 258 5468 1 . ILE 259 259 5468 1 . ALA 260 260 5468 1 . GLU 261 261 5468 1 . ASN 262 262 5468 1 . LEU 263 263 5468 1 . ALA 264 264 5468 1 . LYS 265 265 5468 1 . PHE 266 266 5468 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5468 _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 $6PGL . 5702 . . 'Trypanosoma brucei' 'African trypanosome' . . Eukaryota . Trypanosoma brucei 427 . . . . . . . . . . pgl . 5468 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 5468 _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 $6PGL . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3)pLysS . . plamid . . . . . . 5468 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5468 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 6-phosphogluconolactonase '[U-100% 15N; U-100% 13C; U-80% 2H]' . . 1 $6PGL . . 1.4 . . mM . . . . 5468 1 2 'Na phosphate buffer' . . . . . . . 50 . . mM . . . . 5468 1 3 NaCl . . . . . . . 200 . . mM . . . . 5468 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5468 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 6-phosphogluconolactonase '[U-100% 15N; U-100% 13C]' . . 1 $6PGL . . 1.4 . . mM . . . . 5468 2 2 'Na phosphate buffer' . . . . . . . 50 . . mM . . . . 5468 2 3 NaCl . . . . . . . 200 . . mM . . . . 5468 2 stop_ save_ ####################### # Sample conditions # ####################### save_Experiment-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Experiment-cond_1 _Sample_condition_list.Entry_ID 5468 _Sample_condition_list.ID 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' 0.25 0.01 M 5468 1 pH 6.0 0.1 n/a 5468 1 temperature 298 2 K 5468 1 stop_ save_ ############################ # Computer software used # ############################ save_Gifa _Software.Sf_category software _Software.Sf_framecode Gifa _Software.Entry_ID 5468 _Software.ID 1 _Software.Type . _Software.Name Gifa _Software.Version 4.3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Fourrier Transform' 5468 1 'NMR data processing' 5468 1 apodization 5468 1 'linear prediction' 5468 1 phasing 5468 1 stop_ save_ save_xeasy _Software.Sf_category software _Software.Sf_framecode xeasy _Software.Entry_ID 5468 _Software.ID 2 _Software.Type . _Software.Name xeasy _Software.Version 1.3 _Software.DOI . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 5468 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 5468 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer3 _NMR_spectrometer.Entry_ID 5468 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5468 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer1 Bruker DRX . 800 . . . 5468 1 2 NMR_spectrometer2 Bruker DRX . 600 . . . 5468 1 3 NMR_spectrometer3 Varian INOVA . 600 . . . 5468 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 5468 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1N-15N HSQC' . . . . . . . . . . . . . . . . 1 $Experiment-cond_1 . . . . . . . . . . . . . . . . . . . . . 5468 1 2 HNCA . . . . . . . . . . . . . . . . 1 $Experiment-cond_1 . . . . . . . . . . . . . . . . . . . . . 5468 1 3 HN(CO)CA . . . . . . . . . . . . . . . . 1 $Experiment-cond_1 . . . . . . . . . . . . . . . . . . . . . 5468 1 4 HNCACB . . . . . . . . . . . . . . . . 1 $Experiment-cond_1 . . . . . . . . . . . . . . . . . . . . . 5468 1 5 HN(CO)CACB . . . . . . . . . . . . . . . . 1 $Experiment-cond_1 . . . . . . . . . . . . . . . . . . . . . 5468 1 6 HNCO . . . . . . . . . . . . . . . . 1 $Experiment-cond_1 . . . . . . . . . . . . . . . . . . . . . 5468 1 7 HN(CA)CO . . . . . . . . . . . . . . . . 1 $Experiment-cond_1 . . . . . . . . . . . . . . . . . . . . . 5468 1 8 HBHA(CO)NH . . . . . . . . . . . . . . . . 1 $Experiment-cond_1 . . . . . . . . . . . . . . . . . . . . . 5468 1 9 HNHA . . . . . . . . . . . . . . . . 1 $Experiment-cond_1 . . . . . . . . . . . . . . . . . . . . . 5468 1 10 CBCACOHA . . . . . . . . . . . . . . . . 1 $Experiment-cond_1 . . . . . . . . . . . . . . . . . . . . . 5468 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5468 _Chem_shift_reference.ID 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 0.0 . indirect 0.251449530 . . . . . 5468 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 5468 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 5468 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5468 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Experiment-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 '1N-15N HSQC' 1 $sample_1 . 5468 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 13 175.0 0.10 . 1 . . . . . . . . . 5468 1 2 . 1 1 1 1 MET CA C 13 58.070 0.10 . 1 . . . . . . . . . 5468 1 3 . 1 1 2 2 SER H H 1 8.13 0.03 . 1 . . . . . . . . . 5468 1 4 . 1 1 2 2 SER CA C 13 62.430 0.10 . 1 . . . . . . . . . 5468 1 5 . 1 1 2 2 SER N N 15 120.978 0.15 . 1 . . . . . . . . . 5468 1 6 . 1 1 5 5 PRO HA H 1 4.57 0.03 . 1 . . . . . . . . . 5468 1 7 . 1 1 5 5 PRO C C 13 176.18 0.10 . 1 . . . . . . . . . 5468 1 8 . 1 1 5 5 PRO CA C 13 62.434 0.10 . 1 . . . . . . . . . 5468 1 9 . 1 1 5 5 PRO CB C 13 32.002 0.10 . 1 . . . . . . . . . 5468 1 10 . 1 1 6 6 THR H H 1 8.373 0.03 . 1 . . . . . . . . . 5468 1 11 . 1 1 6 6 THR HA H 1 4.44 0.03 . 1 . . . . . . . . . 5468 1 12 . 1 1 6 6 THR C C 13 174.076 0.10 . 1 . . . . . . . . . 5468 1 13 . 1 1 6 6 THR CA C 13 62.931 0.10 . 1 . . . . . . . . . 5468 1 14 . 1 1 6 6 THR CB C 13 69.403 0.10 . 1 . . . . . . . . . 5468 1 15 . 1 1 6 6 THR N N 15 114.608 0.15 . 1 . . . . . . . . . 5468 1 16 . 1 1 7 7 ILE H H 1 8.842 0.03 . 1 . . . . . . . . . 5468 1 17 . 1 1 7 7 ILE HA H 1 4.95 0.03 . 1 . . . . . . . . . 5468 1 18 . 1 1 7 7 ILE C C 13 175.078 0.10 . 1 . . . . . . . . . 5468 1 19 . 1 1 7 7 ILE CA C 13 60.677 0.10 . 1 . . . . . . . . . 5468 1 20 . 1 1 7 7 ILE CB C 13 40.001 0.10 . 1 . . . . . . . . . 5468 1 21 . 1 1 7 7 ILE N N 15 127.654 0.15 . 1 . . . . . . . . . 5468 1 22 . 1 1 8 8 SER H H 1 9.014 0.03 . 1 . . . . . . . . . 5468 1 23 . 1 1 8 8 SER HA H 1 4.52 0.03 . 1 . . . . . . . . . 5468 1 24 . 1 1 8 8 SER C C 13 171.41 0.10 . 1 . . . . . . . . . 5468 1 25 . 1 1 8 8 SER CA C 13 57.285 0.10 . 1 . . . . . . . . . 5468 1 26 . 1 1 8 8 SER CB C 13 65.27 0.10 . 1 . . . . . . . . . 5468 1 27 . 1 1 8 8 SER N N 15 122.48 0.15 . 1 . . . . . . . . . 5468 1 28 . 1 1 9 9 VAL H H 1 7.979 0.03 . 1 . . . . . . . . . 5468 1 29 . 1 1 9 9 VAL HA H 1 4.45 0.03 . 1 . . . . . . . . . 5468 1 30 . 1 1 9 9 VAL C C 13 174.945 0.10 . 1 . . . . . . . . . 5468 1 31 . 1 1 9 9 VAL CA C 13 61.237 0.10 . 1 . . . . . . . . . 5468 1 32 . 1 1 9 9 VAL CB C 13 33.229 0.10 . 1 . . . . . . . . . 5468 1 33 . 1 1 9 9 VAL N N 15 121.806 0.15 . 1 . . . . . . . . . 5468 1 34 . 1 1 10 10 HIS H H 1 8.758 0.03 . 1 . . . . . . . . . 5468 1 35 . 1 1 10 10 HIS HA H 1 4.68 0.03 . 1 . . . . . . . . . 5468 1 36 . 1 1 10 10 HIS C C 13 175.361 0.10 . 1 . . . . . . . . . 5468 1 37 . 1 1 10 10 HIS CA C 13 55.211 0.10 . 1 . . . . . . . . . 5468 1 38 . 1 1 10 10 HIS CB C 13 32.872 0.10 . 1 . . . . . . . . . 5468 1 39 . 1 1 10 10 HIS N N 15 124.955 0.15 . 1 . . . . . . . . . 5468 1 40 . 1 1 11 11 ALA H H 1 8.903 0.03 . 1 . . . . . . . . . 5468 1 41 . 1 1 11 11 ALA HA H 1 4.13 0.03 . 1 . . . . . . . . . 5468 1 42 . 1 1 11 11 ALA C C 13 178.027 0.10 . 1 . . . . . . . . . 5468 1 43 . 1 1 11 11 ALA CA C 13 55.604 0.10 . 1 . . . . . . . . . 5468 1 44 . 1 1 11 11 ALA CB C 13 19.705 0.10 . 1 . . . . . . . . . 5468 1 45 . 1 1 11 11 ALA N N 15 121.581 0.15 . 1 . . . . . . . . . 5468 1 46 . 1 1 12 12 THR H H 1 7.207 0.03 . 1 . . . . . . . . . 5468 1 47 . 1 1 12 12 THR HA H 1 5.19 0.03 . 1 . . . . . . . . . 5468 1 48 . 1 1 12 12 THR C C 13 173.716 0.10 . 1 . . . . . . . . . 5468 1 49 . 1 1 12 12 THR CA C 13 58.07 0.10 . 1 . . . . . . . . . 5468 1 50 . 1 1 12 12 THR CB C 13 71.129 0.10 . 1 . . . . . . . . . 5468 1 51 . 1 1 12 12 THR N N 15 102.615 0.15 . 1 . . . . . . . . . 5468 1 52 . 1 1 13 13 PRO HA H 1 4.4 0.03 . 1 . . . . . . . . . 5468 1 53 . 1 1 13 13 PRO C C 13 177.59 0.10 . 1 . . . . . . . . . 5468 1 54 . 1 1 13 13 PRO CA C 13 65.105 0.10 . 1 . . . . . . . . . 5468 1 55 . 1 1 13 13 PRO CB C 13 31.94 0.10 . 1 . . . . . . . . . 5468 1 56 . 1 1 14 14 GLN H H 1 8.549 0.03 . 1 . . . . . . . . . 5468 1 57 . 1 1 14 14 GLN HA H 1 3.98 0.03 . 1 . . . . . . . . . 5468 1 58 . 1 1 14 14 GLN C C 13 179.112 0.10 . 1 . . . . . . . . . 5468 1 59 . 1 1 14 14 GLN CA C 13 60.096 0.10 . 1 . . . . . . . . . 5468 1 60 . 1 1 14 14 GLN CB C 13 27.135 0.10 . 1 . . . . . . . . . 5468 1 61 . 1 1 14 14 GLN N N 15 116.857 0.15 . 1 . . . . . . . . . 5468 1 62 . 1 1 15 15 GLU H H 1 7.945 0.03 . 1 . . . . . . . . . 5468 1 63 . 1 1 15 15 GLU HA H 1 4.32 0.03 . 1 . . . . . . . . . 5468 1 64 . 1 1 15 15 GLU C C 13 178.973 0.10 . 1 . . . . . . . . . 5468 1 65 . 1 1 15 15 GLU CA C 13 59.179 0.10 . 1 . . . . . . . . . 5468 1 66 . 1 1 15 15 GLU CB C 13 30.497 0.10 . 1 . . . . . . . . . 5468 1 67 . 1 1 15 15 GLU N N 15 120.146 0.15 . 1 . . . . . . . . . 5468 1 68 . 1 1 16 16 LEU H H 1 8.182 0.03 . 1 . . . . . . . . . 5468 1 69 . 1 1 16 16 LEU HA H 1 3.29 0.03 . 1 . . . . . . . . . 5468 1 70 . 1 1 16 16 LEU C C 13 178.538 0.10 . 1 . . . . . . . . . 5468 1 71 . 1 1 16 16 LEU CA C 13 59.135 0.10 . 1 . . . . . . . . . 5468 1 72 . 1 1 16 16 LEU CB C 13 42.835 0.10 . 1 . . . . . . . . . 5468 1 73 . 1 1 16 16 LEU N N 15 122.256 0.15 . 1 . . . . . . . . . 5468 1 74 . 1 1 17 17 SER H H 1 8.408 0.03 . 1 . . . . . . . . . 5468 1 75 . 1 1 17 17 SER HA H 1 4.1 0.03 . 1 . . . . . . . . . 5468 1 76 . 1 1 17 17 SER C C 13 177.366 0.10 . 1 . . . . . . . . . 5468 1 77 . 1 1 17 17 SER CA C 13 61.237 0.10 . 1 . . . . . . . . . 5468 1 78 . 1 1 17 17 SER CB C 13 63.171 0.10 . 1 . . . . . . . . . 5468 1 79 . 1 1 17 17 SER N N 15 113.708 0.15 . 1 . . . . . . . . . 5468 1 80 . 1 1 18 18 ALA H H 1 7.601 0.03 . 1 . . . . . . . . . 5468 1 81 . 1 1 18 18 ALA HA H 1 4.17 0.03 . 1 . . . . . . . . . 5468 1 82 . 1 1 18 18 ALA C C 13 178.973 0.10 . 1 . . . . . . . . . 5468 1 83 . 1 1 18 18 ALA CA C 13 55.633 0.10 . 1 . . . . . . . . . 5468 1 84 . 1 1 18 18 ALA CB C 13 17.27 0.10 . 1 . . . . . . . . . 5468 1 85 . 1 1 18 18 ALA N N 15 125.56 0.15 . 1 . . . . . . . . . 5468 1 86 . 1 1 19 19 ALA H H 1 7.869 0.03 . 1 . . . . . . . . . 5468 1 87 . 1 1 19 19 ALA HA H 1 3.97 0.03 . 1 . . . . . . . . . 5468 1 88 . 1 1 19 19 ALA C C 13 180.996 0.10 . 1 . . . . . . . . . 5468 1 89 . 1 1 19 19 ALA CA C 13 54.903 0.10 . 1 . . . . . . . . . 5468 1 90 . 1 1 19 19 ALA CB C 13 18.099 0.10 . 1 . . . . . . . . . 5468 1 91 . 1 1 19 19 ALA N N 15 120.906 0.15 . 1 . . . . . . . . . 5468 1 92 . 1 1 20 20 GLY H H 1 8.7 0.03 . 1 . . . . . . . . . 5468 1 93 . 1 1 20 20 GLY HA2 H 1 3.3 0.03 . 1 . . . . . . . . . 5468 1 94 . 1 1 20 20 GLY HA3 H 1 3.3 0.03 . 1 . . . . . . . . . 5468 1 95 . 1 1 20 20 GLY C C 13 173.603 0.10 . 1 . . . . . . . . . 5468 1 96 . 1 1 20 20 GLY CA C 13 47.28 0.10 . 1 . . . . . . . . . 5468 1 97 . 1 1 20 20 GLY N N 15 107.255 0.15 . 1 . . . . . . . . . 5468 1 98 . 1 1 21 21 CYS H H 1 7.807 0.03 . 1 . . . . . . . . . 5468 1 99 . 1 1 21 21 CYS C C 13 174.794 0.10 . 1 . . . . . . . . . 5468 1 100 . 1 1 21 21 CYS CA C 13 60.004 0.10 . 1 . . . . . . . . . 5468 1 101 . 1 1 21 21 CYS CB C 13 39.141 0.10 . 1 . . . . . . . . . 5468 1 102 . 1 1 21 21 CYS N N 15 119.63 0.15 . 1 . . . . . . . . . 5468 1 103 . 1 1 22 22 ARG H H 1 8.551 0.03 . 1 . . . . . . . . . 5468 1 104 . 1 1 22 22 ARG HA H 1 3.781 0.03 . 1 . . . . . . . . . 5468 1 105 . 1 1 22 22 ARG C C 13 178.216 0.10 . 1 . . . . . . . . . 5468 1 106 . 1 1 22 22 ARG CA C 13 59.752 0.10 . 1 . . . . . . . . . 5468 1 107 . 1 1 22 22 ARG CB C 13 29.624 0.10 . 1 . . . . . . . . . 5468 1 108 . 1 1 22 22 ARG N N 15 118.432 0.15 . 1 . . . . . . . . . 5468 1 109 . 1 1 23 23 LYS H H 1 8.065 0.03 . 1 . . . . . . . . . 5468 1 110 . 1 1 23 23 LYS HA H 1 4.08 0.03 . 1 . . . . . . . . . 5468 1 111 . 1 1 23 23 LYS C C 13 178.046 0.10 . 1 . . . . . . . . . 5468 1 112 . 1 1 23 23 LYS CA C 13 57.874 0.10 . 1 . . . . . . . . . 5468 1 113 . 1 1 23 23 LYS CB C 13 30.868 0.10 . 1 . . . . . . . . . 5468 1 114 . 1 1 23 23 LYS N N 15 117.825 0.15 . 1 . . . . . . . . . 5468 1 115 . 1 1 24 24 ILE H H 1 7.397 0.03 . 1 . . . . . . . . . 5468 1 116 . 1 1 24 24 ILE HA H 1 3.35 0.03 . 1 . . . . . . . . . 5468 1 117 . 1 1 24 24 ILE C C 13 177.25 0.10 . 1 . . . . . . . . . 5468 1 118 . 1 1 24 24 ILE CA C 13 66.314 0.10 . 1 . . . . . . . . . 5468 1 119 . 1 1 24 24 ILE CB C 13 37.848 0.10 . 1 . . . . . . . . . 5468 1 120 . 1 1 24 24 ILE N N 15 116.736 0.15 . 1 . . . . . . . . . 5468 1 121 . 1 1 25 25 VAL H H 1 7.935 0.03 . 1 . . . . . . . . . 5468 1 122 . 1 1 25 25 VAL C C 13 177.328 0.10 . 1 . . . . . . . . . 5468 1 123 . 1 1 25 25 VAL CA C 13 67.03 0.10 . 1 . . . . . . . . . 5468 1 124 . 1 1 25 25 VAL CB C 13 32.654 0.10 . 1 . . . . . . . . . 5468 1 125 . 1 1 25 25 VAL N N 15 118.035 0.15 . 1 . . . . . . . . . 5468 1 126 . 1 1 26 26 GLU H H 1 8.584 0.03 . 1 . . . . . . . . . 5468 1 127 . 1 1 26 26 GLU HA H 1 3.98 0.03 . 1 . . . . . . . . . 5468 1 128 . 1 1 26 26 GLU C C 13 180.04 0.10 . 1 . . . . . . . . . 5468 1 129 . 1 1 26 26 GLU CA C 13 59.582 0.10 . 1 . . . . . . . . . 5468 1 130 . 1 1 26 26 GLU CB C 13 29.208 0.10 . 1 . . . . . . . . . 5468 1 131 . 1 1 26 26 GLU N N 15 119.448 0.15 . 1 . . . . . . . . . 5468 1 132 . 1 1 27 27 ILE H H 1 7.665 0.03 . 1 . . . . . . . . . 5468 1 133 . 1 1 27 27 ILE HA H 1 3.68 0.03 . 1 . . . . . . . . . 5468 1 134 . 1 1 27 27 ILE C C 13 179.183 0.10 . 1 . . . . . . . . . 5468 1 135 . 1 1 27 27 ILE CA C 13 65.529 0.10 . 1 . . . . . . . . . 5468 1 136 . 1 1 27 27 ILE CB C 13 38.119 0.10 . 1 . . . . . . . . . 5468 1 137 . 1 1 27 27 ILE N N 15 120.088 0.15 . 1 . . . . . . . . . 5468 1 138 . 1 1 28 28 ILE H H 1 8.021 0.03 . 1 . . . . . . . . . 5468 1 139 . 1 1 28 28 ILE HA H 1 3.5 0.03 . 1 . . . . . . . . . 5468 1 140 . 1 1 28 28 ILE C C 13 179.349 0.10 . 1 . . . . . . . . . 5468 1 141 . 1 1 28 28 ILE CA C 13 66.322 0.10 . 1 . . . . . . . . . 5468 1 142 . 1 1 28 28 ILE CB C 13 38.227 0.10 . 1 . . . . . . . . . 5468 1 143 . 1 1 28 28 ILE N N 15 121.177 0.15 . 1 . . . . . . . . . 5468 1 144 . 1 1 29 29 GLU H H 1 8.814 0.03 . 1 . . . . . . . . . 5468 1 145 . 1 1 29 29 GLU C C 13 178.969 0.10 . 1 . . . . . . . . . 5468 1 146 . 1 1 29 29 GLU CA C 13 59.5 0.10 . 1 . . . . . . . . . 5468 1 147 . 1 1 29 29 GLU CB C 13 29.572 0.10 . 1 . . . . . . . . . 5468 1 148 . 1 1 29 29 GLU N N 15 117.252 0.15 . 1 . . . . . . . . . 5468 1 149 . 1 1 30 30 ALA H H 1 8.302 0.03 . 1 . . . . . . . . . 5468 1 150 . 1 1 30 30 ALA HA H 1 4.22 0.03 . 1 . . . . . . . . . 5468 1 151 . 1 1 30 30 ALA C C 13 179.805 0.10 . 1 . . . . . . . . . 5468 1 152 . 1 1 30 30 ALA CA C 13 54.123 0.10 . 1 . . . . . . . . . 5468 1 153 . 1 1 30 30 ALA CB C 13 18.153 0.10 . 1 . . . . . . . . . 5468 1 154 . 1 1 30 30 ALA N N 15 120.006 0.15 . 1 . . . . . . . . . 5468 1 155 . 1 1 31 31 SER H H 1 7.835 0.03 . 1 . . . . . . . . . 5468 1 156 . 1 1 31 31 SER HA H 1 4.31 0.03 . 1 . . . . . . . . . 5468 1 157 . 1 1 31 31 SER C C 13 175.02 0.10 . 1 . . . . . . . . . 5468 1 158 . 1 1 31 31 SER CA C 13 61.489 0.10 . 1 . . . . . . . . . 5468 1 159 . 1 1 31 31 SER CB C 13 64.658 0.10 . 1 . . . . . . . . . 5468 1 160 . 1 1 31 31 SER N N 15 112.808 0.15 . 1 . . . . . . . . . 5468 1 161 . 1 1 32 32 GLY H H 1 7.523 0.03 . 1 . . . . . . . . . 5468 1 162 . 1 1 32 32 GLY HA2 H 1 3.68 0.03 . 2 . . . . . . . . . 5468 1 163 . 1 1 32 32 GLY HA3 H 1 4.10 0.03 . 2 . . . . . . . . . 5468 1 164 . 1 1 32 32 GLY C C 13 173.248 0.10 . 1 . . . . . . . . . 5468 1 165 . 1 1 32 32 GLY CA C 13 44.711 0.10 . 1 . . . . . . . . . 5468 1 166 . 1 1 32 32 GLY N N 15 106.05 0.15 . 1 . . . . . . . . . 5468 1 167 . 1 1 33 33 SER H H 1 7.807 0.03 . 1 . . . . . . . . . 5468 1 168 . 1 1 33 33 SER C C 13 176.7 0.10 . 1 . . . . . . . . . 5468 1 169 . 1 1 33 33 SER CA C 13 59.95 0.10 . 1 . . . . . . . . . 5468 1 170 . 1 1 33 33 SER CB C 13 61.875 0.10 . 1 . . . . . . . . . 5468 1 171 . 1 1 33 33 SER N N 15 113.708 0.15 . 1 . . . . . . . . . 5468 1 172 . 1 1 34 34 GLN H H 1 8.374 0.03 . 1 . . . . . . . . . 5468 1 173 . 1 1 34 34 GLN HA H 1 4.09 0.03 . 1 . . . . . . . . . 5468 1 174 . 1 1 34 34 GLN C C 13 176.829 0.10 . 1 . . . . . . . . . 5468 1 175 . 1 1 34 34 GLN CA C 13 57.776 0.10 . 1 . . . . . . . . . 5468 1 176 . 1 1 34 34 GLN CB C 13 27.514 0.10 . 1 . . . . . . . . . 5468 1 177 . 1 1 34 34 GLN N N 15 120.006 0.15 . 1 . . . . . . . . . 5468 1 178 . 1 1 35 35 GLN H H 1 7.716 0.03 . 1 . . . . . . . . . 5468 1 179 . 1 1 35 35 GLN HA H 1 4.37 0.03 . 1 . . . . . . . . . 5468 1 180 . 1 1 35 35 GLN C C 13 175.046 0.10 . 1 . . . . . . . . . 5468 1 181 . 1 1 35 35 GLN CA C 13 55.432 0.10 . 1 . . . . . . . . . 5468 1 182 . 1 1 35 35 GLN CB C 13 29.678 0.10 . 1 . . . . . . . . . 5468 1 183 . 1 1 35 35 GLN N N 15 115.189 0.15 . 1 . . . . . . . . . 5468 1 184 . 1 1 36 36 TRP H H 1 7.11 0.03 . 1 . . . . . . . . . 5468 1 185 . 1 1 36 36 TRP C C 13 175.523 0.10 . 1 . . . . . . . . . 5468 1 186 . 1 1 36 36 TRP CA C 13 54.172 0.10 . 1 . . . . . . . . . 5468 1 187 . 1 1 36 36 TRP CB C 13 28.217 0.10 . 1 . . . . . . . . . 5468 1 188 . 1 1 36 36 TRP N N 15 119.314 0.15 . 1 . . . . . . . . . 5468 1 189 . 1 1 37 37 PRO HA H 1 4.6 0.03 . 1 . . . . . . . . . 5468 1 190 . 1 1 37 37 PRO C C 13 177.828 0.10 . 1 . . . . . . . . . 5468 1 191 . 1 1 37 37 PRO CA C 13 61.875 0.10 . 1 . . . . . . . . . 5468 1 192 . 1 1 37 37 PRO CB C 13 33.12 0.10 . 1 . . . . . . . . . 5468 1 193 . 1 1 38 38 LEU H H 1 9.082 0.03 . 1 . . . . . . . . . 5468 1 194 . 1 1 38 38 LEU C C 13 175.956 0.10 . 1 . . . . . . . . . 5468 1 195 . 1 1 38 38 LEU CA C 13 54.09 0.10 . 1 . . . . . . . . . 5468 1 196 . 1 1 38 38 LEU CB C 13 41.545 0.10 . 1 . . . . . . . . . 5468 1 197 . 1 1 38 38 LEU N N 15 124.505 0.15 . 1 . . . . . . . . . 5468 1 198 . 1 1 39 39 SER H H 1 10.291 0.03 . 1 . . . . . . . . . 5468 1 199 . 1 1 39 39 SER HA H 1 5.3 0.03 . 1 . . . . . . . . . 5468 1 200 . 1 1 39 39 SER C C 13 173.981 0.10 . 1 . . . . . . . . . 5468 1 201 . 1 1 39 39 SER CA C 13 57.454 0.10 . 1 . . . . . . . . . 5468 1 202 . 1 1 39 39 SER CB C 13 65.818 0.10 . 1 . . . . . . . . . 5468 1 203 . 1 1 39 39 SER N N 15 116.279 0.15 . 1 . . . . . . . . . 5468 1 204 . 1 1 40 40 ILE H H 1 8.964 0.03 . 1 . . . . . . . . . 5468 1 205 . 1 1 40 40 ILE C C 13 171.823 0.10 . 1 . . . . . . . . . 5468 1 206 . 1 1 40 40 ILE CA C 13 56.865 0.10 . 1 . . . . . . . . . 5468 1 207 . 1 1 40 40 ILE CB C 13 42.061 0.10 . 1 . . . . . . . . . 5468 1 208 . 1 1 40 40 ILE N N 15 120.919 0.15 . 1 . . . . . . . . . 5468 1 209 . 1 1 41 41 ALA H H 1 8.338 0.03 . 1 . . . . . . . . . 5468 1 210 . 1 1 41 41 ALA HA H 1 4.7 0.03 . 1 . . . . . . . . . 5468 1 211 . 1 1 41 41 ALA C C 13 176.302 0.10 . 1 . . . . . . . . . 5468 1 212 . 1 1 41 41 ALA CA C 13 49.298 0.10 . 1 . . . . . . . . . 5468 1 213 . 1 1 41 41 ALA CB C 13 18.463 0.10 . 1 . . . . . . . . . 5468 1 214 . 1 1 41 41 ALA N N 15 127.365 0.15 . 1 . . . . . . . . . 5468 1 215 . 1 1 42 42 LEU H H 1 9.186 0.03 . 1 . . . . . . . . . 5468 1 216 . 1 1 42 42 LEU HA H 1 4.2 0.03 . 1 . . . . . . . . . 5468 1 217 . 1 1 42 42 LEU C C 13 176.893 0.10 . 1 . . . . . . . . . 5468 1 218 . 1 1 42 42 LEU CA C 13 55.852 0.10 . 1 . . . . . . . . . 5468 1 219 . 1 1 42 42 LEU CB C 13 41.781 0.10 . 1 . . . . . . . . . 5468 1 220 . 1 1 42 42 LEU N N 15 120.146 0.15 . 1 . . . . . . . . . 5468 1 221 . 1 1 43 43 ALA H H 1 6.786 0.03 . 1 . . . . . . . . . 5468 1 222 . 1 1 43 43 ALA HA H 1 5.06 0.03 . 1 . . . . . . . . . 5468 1 223 . 1 1 43 43 ALA C C 13 179.255 0.10 . 1 . . . . . . . . . 5468 1 224 . 1 1 43 43 ALA CA C 13 50.892 0.10 . 1 . . . . . . . . . 5468 1 225 . 1 1 43 43 ALA CB C 13 21.946 0.10 . 1 . . . . . . . . . 5468 1 226 . 1 1 43 43 ALA N N 15 121.806 0.15 . 1 . . . . . . . . . 5468 1 227 . 1 1 44 44 GLY H H 1 9.387 0.03 . 1 . . . . . . . . . 5468 1 228 . 1 1 44 44 GLY HA2 H 1 4.31 0.03 . 2 . . . . . . . . . 5468 1 229 . 1 1 44 44 GLY HA3 H 1 4.15 0.03 . 2 . . . . . . . . . 5468 1 230 . 1 1 44 44 GLY C C 13 172.922 0.10 . 1 . . . . . . . . . 5468 1 231 . 1 1 44 44 GLY CA C 13 43.3 0.10 . 1 . . . . . . . . . 5468 1 232 . 1 1 44 44 GLY N N 15 108.984 0.15 . 1 . . . . . . . . . 5468 1 233 . 1 1 45 45 GLY H H 1 7.759 0.03 . 1 . . . . . . . . . 5468 1 234 . 1 1 45 45 GLY HA2 H 1 3.94 0.03 . 1 . . . . . . . . . 5468 1 235 . 1 1 45 45 GLY HA3 H 1 3.94 0.03 . 1 . . . . . . . . . 5468 1 236 . 1 1 45 45 GLY C C 13 174.633 0.10 . 1 . . . . . . . . . 5468 1 237 . 1 1 45 45 GLY CA C 13 44.085 0.10 . 1 . . . . . . . . . 5468 1 238 . 1 1 45 45 GLY N N 15 103.646 0.15 . 1 . . . . . . . . . 5468 1 239 . 1 1 46 46 SER H H 1 8.577 0.03 . 1 . . . . . . . . . 5468 1 240 . 1 1 46 46 SER CA C 13 62.011 0.10 . 1 . . . . . . . . . 5468 1 241 . 1 1 46 46 SER CB C 13 62.561 0.10 . 1 . . . . . . . . . 5468 1 242 . 1 1 46 46 SER N N 15 114.383 0.15 . 1 . . . . . . . . . 5468 1 243 . 1 1 47 47 THR C C 13 174.8 0.10 . 1 . . . . . . . . . 5468 1 244 . 1 1 47 47 THR CA C 13 62.6 0.10 . 1 . . . . . . . . . 5468 1 245 . 1 1 47 47 THR CB C 13 69.3 0.10 . 1 . . . . . . . . . 5468 1 246 . 1 1 48 48 PRO HA H 1 4.4 0.03 . 1 . . . . . . . . . 5468 1 247 . 1 1 48 48 PRO C C 13 174.65 0.10 . 1 . . . . . . . . . 5468 1 248 . 1 1 48 48 PRO CA C 13 62.43 0.10 . 1 . . . . . . . . . 5468 1 249 . 1 1 49 49 LYS H H 1 7.39 0.03 . 1 . . . . . . . . . 5468 1 250 . 1 1 49 49 LYS C C 13 174.5 0.10 . 1 . . . . . . . . . 5468 1 251 . 1 1 49 49 LYS CA C 13 54.17 0.10 . 1 . . . . . . . . . 5468 1 252 . 1 1 49 49 LYS CB C 13 34.05 0.10 . 1 . . . . . . . . . 5468 1 253 . 1 1 49 49 LYS N N 15 120.2 0.15 . 1 . . . . . . . . . 5468 1 254 . 1 1 51 51 THR HA H 1 4.2 0.03 . 1 . . . . . . . . . 5468 1 255 . 1 1 51 51 THR CA C 13 60.074 0.10 . 1 . . . . . . . . . 5468 1 256 . 1 1 51 51 THR CB C 13 63.73 0.10 . 1 . . . . . . . . . 5468 1 257 . 1 1 52 52 TYR H H 1 8.749 0.03 . 1 . . . . . . . . . 5468 1 258 . 1 1 52 52 TYR C C 13 175.86 0.10 . 1 . . . . . . . . . 5468 1 259 . 1 1 52 52 TYR CA C 13 57.339 0.10 . 1 . . . . . . . . . 5468 1 260 . 1 1 52 52 TYR CB C 13 29.642 0.10 . 1 . . . . . . . . . 5468 1 261 . 1 1 52 52 TYR N N 15 117.532 0.15 . 1 . . . . . . . . . 5468 1 262 . 1 1 53 53 ALA H H 1 8.222 0.03 . 1 . . . . . . . . . 5468 1 263 . 1 1 53 53 ALA HA H 1 4.14 0.03 . 1 . . . . . . . . . 5468 1 264 . 1 1 53 53 ALA C C 13 179.54 0.10 . 1 . . . . . . . . . 5468 1 265 . 1 1 53 53 ALA CA C 13 55.403 0.10 . 1 . . . . . . . . . 5468 1 266 . 1 1 53 53 ALA CB C 13 17.966 0.10 . 1 . . . . . . . . . 5468 1 267 . 1 1 53 53 ALA N N 15 120.919 0.15 . 1 . . . . . . . . . 5468 1 268 . 1 1 54 54 ARG H H 1 7.547 0.03 . 1 . . . . . . . . . 5468 1 269 . 1 1 54 54 ARG HA H 1 3.95 0.03 . 1 . . . . . . . . . 5468 1 270 . 1 1 54 54 ARG C C 13 178.63 0.10 . 1 . . . . . . . . . 5468 1 271 . 1 1 54 54 ARG CA C 13 58.967 0.10 . 1 . . . . . . . . . 5468 1 272 . 1 1 54 54 ARG CB C 13 29.704 0.10 . 1 . . . . . . . . . 5468 1 273 . 1 1 54 54 ARG N N 15 115.705 0.15 . 1 . . . . . . . . . 5468 1 274 . 1 1 55 55 LEU H H 1 8.169 0.03 . 1 . . . . . . . . . 5468 1 275 . 1 1 55 55 LEU HA H 1 4.03 0.03 . 1 . . . . . . . . . 5468 1 276 . 1 1 55 55 LEU C C 13 178.137 0.10 . 1 . . . . . . . . . 5468 1 277 . 1 1 55 55 LEU CA C 13 58.799 0.10 . 1 . . . . . . . . . 5468 1 278 . 1 1 55 55 LEU CB C 13 42.126 0.10 . 1 . . . . . . . . . 5468 1 279 . 1 1 55 55 LEU N N 15 118.614 0.15 . 1 . . . . . . . . . 5468 1 280 . 1 1 56 56 HIS H H 1 8.49 0.03 . 1 . . . . . . . . . 5468 1 281 . 1 1 56 56 HIS CA C 13 60.7 0.10 . 1 . . . . . . . . . 5468 1 282 . 1 1 56 56 HIS CB C 13 26.7 0.10 . 1 . . . . . . . . . 5468 1 283 . 1 1 56 56 HIS N N 15 114.25 0.15 . 1 . . . . . . . . . 5468 1 284 . 1 1 57 57 ASP H H 1 8.65 0.03 . 1 . . . . . . . . . 5468 1 285 . 1 1 57 57 ASP C C 13 178.48 0.10 . 1 . . . . . . . . . 5468 1 286 . 1 1 57 57 ASP CA C 13 56.7 0.10 . 1 . . . . . . . . . 5468 1 287 . 1 1 57 57 ASP CB C 13 40.2 0.10 . 1 . . . . . . . . . 5468 1 288 . 1 1 57 57 ASP N N 15 114.79 0.15 . 1 . . . . . . . . . 5468 1 289 . 1 1 58 58 GLU H H 1 8.22 0.03 . 1 . . . . . . . . . 5468 1 290 . 1 1 58 58 GLU CA C 13 57.2 0.03 . 1 . . . . . . . . . 5468 1 291 . 1 1 58 58 GLU CB C 13 31.32 0.10 . 1 . . . . . . . . . 5468 1 292 . 1 1 58 58 GLU N N 15 114.27 0.15 . 1 . . . . . . . . . 5468 1 293 . 1 1 59 59 HIS H H 1 7.65 0.03 . 1 . . . . . . . . . 5468 1 294 . 1 1 59 59 HIS C C 13 175.47 0.10 . 1 . . . . . . . . . 5468 1 295 . 1 1 59 59 HIS CA C 13 55.35 0.10 . 1 . . . . . . . . . 5468 1 296 . 1 1 59 59 HIS CB C 13 30.003 0.10 . 1 . . . . . . . . . 5468 1 297 . 1 1 59 59 HIS N N 15 114.79 0.15 . 1 . . . . . . . . . 5468 1 298 . 1 1 60 60 LEU H H 1 7.5 0.03 . 1 . . . . . . . . . 5468 1 299 . 1 1 60 60 LEU C C 13 178.85 0.10 . 1 . . . . . . . . . 5468 1 300 . 1 1 60 60 LEU CA C 13 58.5 0.10 . 1 . . . . . . . . . 5468 1 301 . 1 1 60 60 LEU CB C 13 39.6 0.10 . 1 . . . . . . . . . 5468 1 302 . 1 1 60 60 LEU N N 15 119.94 0.15 . 1 . . . . . . . . . 5468 1 303 . 1 1 61 61 ASN CB C 13 57.35 0.10 . 1 . . . . . . . . . 5468 1 304 . 1 1 62 62 LEU H H 1 7.486 0.03 . 1 . . . . . . . . . 5468 1 305 . 1 1 62 62 LEU C C 13 175.651 0.10 . 1 . . . . . . . . . 5468 1 306 . 1 1 62 62 LEU CA C 13 57.15 0.10 . 1 . . . . . . . . . 5468 1 307 . 1 1 62 62 LEU CB C 13 42.447 0.10 . 1 . . . . . . . . . 5468 1 308 . 1 1 62 62 LEU N N 15 120.681 0.15 . 1 . . . . . . . . . 5468 1 309 . 1 1 63 63 LEU H H 1 7.277 0.03 . 1 . . . . . . . . . 5468 1 310 . 1 1 63 63 LEU HA H 1 4.463 0.03 . 1 . . . . . . . . . 5468 1 311 . 1 1 63 63 LEU C C 13 178.522 0.10 . 1 . . . . . . . . . 5468 1 312 . 1 1 63 63 LEU CA C 13 55.576 0.10 . 1 . . . . . . . . . 5468 1 313 . 1 1 63 63 LEU CB C 13 42.069 0.10 . 1 . . . . . . . . . 5468 1 314 . 1 1 63 63 LEU N N 15 112.411 0.15 . 1 . . . . . . . . . 5468 1 315 . 1 1 64 64 ARG H H 1 9.094 0.03 . 1 . . . . . . . . . 5468 1 316 . 1 1 64 64 ARG HA H 1 4.27 0.03 . 1 . . . . . . . . . 5468 1 317 . 1 1 64 64 ARG C C 13 175.549 0.10 . 1 . . . . . . . . . 5468 1 318 . 1 1 64 64 ARG CA C 13 58.491 0.10 . 1 . . . . . . . . . 5468 1 319 . 1 1 64 64 ARG CB C 13 30.929 0.10 . 1 . . . . . . . . . 5468 1 320 . 1 1 64 64 ARG N N 15 116.632 0.15 . 1 . . . . . . . . . 5468 1 321 . 1 1 65 65 GLU H H 1 8.053 0.03 . 1 . . . . . . . . . 5468 1 322 . 1 1 65 65 GLU HA H 1 4.037 0.03 . 1 . . . . . . . . . 5468 1 323 . 1 1 65 65 GLU C C 13 178.949 0.10 . 1 . . . . . . . . . 5468 1 324 . 1 1 65 65 GLU CA C 13 59.051 0.10 . 1 . . . . . . . . . 5468 1 325 . 1 1 65 65 GLU CB C 13 29.301 0.10 . 1 . . . . . . . . . 5468 1 326 . 1 1 65 65 GLU N N 15 116.407 0.15 . 1 . . . . . . . . . 5468 1 327 . 1 1 66 66 LYS H H 1 7.833 0.03 . 1 . . . . . . . . . 5468 1 328 . 1 1 66 66 LYS HA H 1 4.35 0.03 . 1 . . . . . . . . . 5468 1 329 . 1 1 66 66 LYS C C 13 175.854 0.10 . 1 . . . . . . . . . 5468 1 330 . 1 1 66 66 LYS CA C 13 56.697 0.10 . 1 . . . . . . . . . 5468 1 331 . 1 1 66 66 LYS CB C 13 31.294 0.10 . 1 . . . . . . . . . 5468 1 332 . 1 1 66 66 LYS N N 15 113.258 0.15 . 1 . . . . . . . . . 5468 1 333 . 1 1 67 67 ARG H H 1 6.479 0.03 . 1 . . . . . . . . . 5468 1 334 . 1 1 67 67 ARG HA H 1 3.68 0.03 . 1 . . . . . . . . . 5468 1 335 . 1 1 67 67 ARG C C 13 175.475 0.10 . 1 . . . . . . . . . 5468 1 336 . 1 1 67 67 ARG CA C 13 56.849 0.10 . 1 . . . . . . . . . 5468 1 337 . 1 1 67 67 ARG CB C 13 27.022 0.10 . 1 . . . . . . . . . 5468 1 338 . 1 1 67 67 ARG N N 15 109.209 0.15 . 1 . . . . . . . . . 5468 1 339 . 1 1 68 68 ALA H H 1 7.239 0.03 . 1 . . . . . . . . . 5468 1 340 . 1 1 68 68 ALA HA H 1 3.408 0.03 . 1 . . . . . . . . . 5468 1 341 . 1 1 68 68 ALA C C 13 176.874 0.10 . 1 . . . . . . . . . 5468 1 342 . 1 1 68 68 ALA CA C 13 55.295 0.10 . 1 . . . . . . . . . 5468 1 343 . 1 1 68 68 ALA CB C 13 19.457 0.10 . 1 . . . . . . . . . 5468 1 344 . 1 1 68 68 ALA N N 15 115.057 0.15 . 1 . . . . . . . . . 5468 1 345 . 1 1 69 69 LEU H H 1 8.331 0.03 . 1 . . . . . . . . . 5468 1 346 . 1 1 69 69 LEU HA H 1 5.0 0.03 . 1 . . . . . . . . . 5468 1 347 . 1 1 69 69 LEU C C 13 174.964 0.10 . 1 . . . . . . . . . 5468 1 348 . 1 1 69 69 LEU CA C 13 52.801 0.10 . 1 . . . . . . . . . 5468 1 349 . 1 1 69 69 LEU CB C 13 44.921 0.10 . 1 . . . . . . . . . 5468 1 350 . 1 1 69 69 LEU N N 15 111.896 0.15 . 1 . . . . . . . . . 5468 1 351 . 1 1 70 70 ARG H H 1 8.844 0.03 . 1 . . . . . . . . . 5468 1 352 . 1 1 70 70 ARG HA H 1 4.78 0.03 . 1 . . . . . . . . . 5468 1 353 . 1 1 70 70 ARG C C 13 174.34 0.10 . 1 . . . . . . . . . 5468 1 354 . 1 1 70 70 ARG CA C 13 54.966 0.10 . 1 . . . . . . . . . 5468 1 355 . 1 1 70 70 ARG CB C 13 32.625 0.10 . 1 . . . . . . . . . 5468 1 356 . 1 1 70 70 ARG N N 15 117.825 0.15 . 1 . . . . . . . . . 5468 1 357 . 1 1 71 71 PHE H H 1 9.27 0.03 . 1 . . . . . . . . . 5468 1 358 . 1 1 71 71 PHE HA H 1 4.87 0.03 . 1 . . . . . . . . . 5468 1 359 . 1 1 71 71 PHE C C 13 173.017 0.10 . 1 . . . . . . . . . 5468 1 360 . 1 1 71 71 PHE CA C 13 59.107 0.10 . 1 . . . . . . . . . 5468 1 361 . 1 1 71 71 PHE CB C 13 41.416 0.10 . 1 . . . . . . . . . 5468 1 362 . 1 1 71 71 PHE N N 15 120.919 0.15 . 1 . . . . . . . . . 5468 1 363 . 1 1 72 72 PHE H H 1 9.409 0.03 . 1 . . . . . . . . . 5468 1 364 . 1 1 72 72 PHE HA H 1 5.05 0.03 . 1 . . . . . . . . . 5468 1 365 . 1 1 72 72 PHE C C 13 174.156 0.10 . 1 . . . . . . . . . 5468 1 366 . 1 1 72 72 PHE CA C 13 55.66 0.10 . 1 . . . . . . . . . 5468 1 367 . 1 1 72 72 PHE CB C 13 40.821 0.10 . 1 . . . . . . . . . 5468 1 368 . 1 1 72 72 PHE N N 15 120.346 0.15 . 1 . . . . . . . . . 5468 1 369 . 1 1 73 73 MET H H 1 8.445 0.03 . 1 . . . . . . . . . 5468 1 370 . 1 1 73 73 MET HA H 1 4.44 0.03 . 1 . . . . . . . . . 5468 1 371 . 1 1 73 73 MET C C 13 174.771 0.10 . 1 . . . . . . . . . 5468 1 372 . 1 1 73 73 MET CA C 13 52.241 0.10 . 1 . . . . . . . . . 5468 1 373 . 1 1 73 73 MET CB C 13 31.339 0.10 . 1 . . . . . . . . . 5468 1 374 . 1 1 73 73 MET N N 15 117.31 0.15 . 1 . . . . . . . . . 5468 1 375 . 1 1 74 74 GLY H H 1 9.175 0.03 . 1 . . . . . . . . . 5468 1 376 . 1 1 74 74 GLY HA2 H 1 4.80 0.03 . 1 . . . . . . . . . 5468 1 377 . 1 1 74 74 GLY HA3 H 1 4.80 0.03 . 1 . . . . . . . . . 5468 1 378 . 1 1 74 74 GLY C C 13 172.956 0.10 . 1 . . . . . . . . . 5468 1 379 . 1 1 74 74 GLY CA C 13 45.064 0.10 . 1 . . . . . . . . . 5468 1 380 . 1 1 74 74 GLY N N 15 105.16 0.15 . 1 . . . . . . . . . 5468 1 381 . 1 1 75 75 ASP H H 1 7.78 0.03 . 1 . . . . . . . . . 5468 1 382 . 1 1 75 75 ASP HA H 1 5.587 0.03 . 1 . . . . . . . . . 5468 1 383 . 1 1 75 75 ASP C C 13 172.898 0.10 . 1 . . . . . . . . . 5468 1 384 . 1 1 75 75 ASP CA C 13 53.782 0.10 . 1 . . . . . . . . . 5468 1 385 . 1 1 75 75 ASP CB C 13 43.356 0.10 . 1 . . . . . . . . . 5468 1 386 . 1 1 75 75 ASP N N 15 111.638 0.15 . 1 . . . . . . . . . 5468 1 387 . 1 1 76 76 GLU H H 1 8.662 0.03 . 1 . . . . . . . . . 5468 1 388 . 1 1 76 76 GLU C C 13 173.366 0.10 . 1 . . . . . . . . . 5468 1 389 . 1 1 76 76 GLU CA C 13 54.847 0.10 . 1 . . . . . . . . . 5468 1 390 . 1 1 76 76 GLU CB C 13 34.456 0.10 . 1 . . . . . . . . . 5468 1 391 . 1 1 76 76 GLU N N 15 116.407 0.15 . 1 . . . . . . . . . 5468 1 392 . 1 1 77 77 ARG H H 1 11.409 0.03 . 1 . . . . . . . . . 5468 1 393 . 1 1 77 77 ARG C C 13 176.79 0.10 . 1 . . . . . . . . . 5468 1 394 . 1 1 77 77 ARG CA C 13 57.313 0.10 . 1 . . . . . . . . . 5468 1 395 . 1 1 77 77 ARG CB C 13 32.133 0.10 . 1 . . . . . . . . . 5468 1 396 . 1 1 77 77 ARG N N 15 128.329 0.15 . 1 . . . . . . . . . 5468 1 397 . 1 1 78 78 MET H H 1 8.292 0.03 . 1 . . . . . . . . . 5468 1 398 . 1 1 78 78 MET HA H 1 4.46 0.03 . 1 . . . . . . . . . 5468 1 399 . 1 1 78 78 MET C C 13 172.952 0.10 . 1 . . . . . . . . . 5468 1 400 . 1 1 78 78 MET CA C 13 53.081 0.10 . 1 . . . . . . . . . 5468 1 401 . 1 1 78 78 MET CB C 13 28.217 0.10 . 1 . . . . . . . . . 5468 1 402 . 1 1 78 78 MET N N 15 120.231 0.15 . 1 . . . . . . . . . 5468 1 403 . 1 1 79 79 VAL H H 1 8.268 0.03 . 1 . . . . . . . . . 5468 1 404 . 1 1 79 79 VAL HA H 1 4.75 0.03 . 1 . . . . . . . . . 5468 1 405 . 1 1 79 79 VAL C C 13 172.929 0.10 . 1 . . . . . . . . . 5468 1 406 . 1 1 79 79 VAL CA C 13 58.154 0.10 . 1 . . . . . . . . . 5468 1 407 . 1 1 79 79 VAL CB C 13 32.394 0.10 . 1 . . . . . . . . . 5468 1 408 . 1 1 79 79 VAL N N 15 115.705 0.15 . 1 . . . . . . . . . 5468 1 409 . 1 1 80 80 PRO HA H 1 4.35 0.03 . 1 . . . . . . . . . 5468 1 410 . 1 1 80 80 PRO C C 13 176.92 0.10 . 1 . . . . . . . . . 5468 1 411 . 1 1 80 80 PRO CA C 13 62.993 0.10 . 1 . . . . . . . . . 5468 1 412 . 1 1 80 80 PRO CB C 13 32.189 0.10 . 1 . . . . . . . . . 5468 1 413 . 1 1 81 81 ALA H H 1 8.645 0.03 . 1 . . . . . . . . . 5468 1 414 . 1 1 81 81 ALA HA H 1 4.25 0.03 . 1 . . . . . . . . . 5468 1 415 . 1 1 81 81 ALA C C 13 176.761 0.10 . 1 . . . . . . . . . 5468 1 416 . 1 1 81 81 ALA CA C 13 54.371 0.10 . 1 . . . . . . . . . 5468 1 417 . 1 1 81 81 ALA CB C 13 18.478 0.10 . 1 . . . . . . . . . 5468 1 418 . 1 1 81 81 ALA N N 15 121.693 0.15 . 1 . . . . . . . . . 5468 1 419 . 1 1 82 82 ASP H H 1 7.848 0.03 . 1 . . . . . . . . . 5468 1 420 . 1 1 82 82 ASP HA H 1 4.559 0.03 . 1 . . . . . . . . . 5468 1 421 . 1 1 82 82 ASP C C 13 176.293 0.10 . 1 . . . . . . . . . 5468 1 422 . 1 1 82 82 ASP CA C 13 52.773 0.10 . 1 . . . . . . . . . 5468 1 423 . 1 1 82 82 ASP CB C 13 40.047 0.10 . 1 . . . . . . . . . 5468 1 424 . 1 1 82 82 ASP N N 15 110.784 0.15 . 1 . . . . . . . . . 5468 1 425 . 1 1 83 83 SER H H 1 7.765 0.03 . 1 . . . . . . . . . 5468 1 426 . 1 1 83 83 SER HA H 1 4.43 0.03 . 1 . . . . . . . . . 5468 1 427 . 1 1 83 83 SER C C 13 177.171 0.10 . 1 . . . . . . . . . 5468 1 428 . 1 1 83 83 SER CA C 13 57.669 0.10 . 1 . . . . . . . . . 5468 1 429 . 1 1 83 83 SER CB C 13 63.913 0.10 . 1 . . . . . . . . . 5468 1 430 . 1 1 83 83 SER N N 15 113.443 0.15 . 1 . . . . . . . . . 5468 1 431 . 1 1 84 84 THR H H 1 8.574 0.03 . 1 . . . . . . . . . 5468 1 432 . 1 1 84 84 THR HA H 1 4.3 0.03 . 1 . . . . . . . . . 5468 1 433 . 1 1 84 84 THR C C 13 175.949 0.10 . 1 . . . . . . . . . 5468 1 434 . 1 1 84 84 THR CA C 13 64.628 0.10 . 1 . . . . . . . . . 5468 1 435 . 1 1 84 84 THR CB C 13 68.1 0.10 . 1 . . . . . . . . . 5468 1 436 . 1 1 84 84 THR N N 15 118.432 0.15 . 1 . . . . . . . . . 5468 1 437 . 1 1 85 85 ASP H H 1 8.441 0.03 . 1 . . . . . . . . . 5468 1 438 . 1 1 85 85 ASP HA H 1 4.75 0.03 . 1 . . . . . . . . . 5468 1 439 . 1 1 85 85 ASP C C 13 175.04 0.10 . 1 . . . . . . . . . 5468 1 440 . 1 1 85 85 ASP CA C 13 54.86 0.10 . 1 . . . . . . . . . 5468 1 441 . 1 1 85 85 ASP CB C 13 41.868 0.10 . 1 . . . . . . . . . 5468 1 442 . 1 1 85 85 ASP N N 15 118.341 0.15 . 1 . . . . . . . . . 5468 1 443 . 1 1 86 86 SER H H 1 7.328 0.03 . 1 . . . . . . . . . 5468 1 444 . 1 1 86 86 SER HA H 1 4.5 0.03 . 1 . . . . . . . . . 5468 1 445 . 1 1 86 86 SER C C 13 177.309 0.10 . 1 . . . . . . . . . 5468 1 446 . 1 1 86 86 SER CA C 13 57.037 0.10 . 1 . . . . . . . . . 5468 1 447 . 1 1 86 86 SER CB C 13 63.594 0.10 . 1 . . . . . . . . . 5468 1 448 . 1 1 86 86 SER N N 15 113.958 0.15 . 1 . . . . . . . . . 5468 1 449 . 1 1 87 87 ASN H H 1 12.675 0.03 . 1 . . . . . . . . . 5468 1 450 . 1 1 87 87 ASN HA H 1 4.67 0.03 . 1 . . . . . . . . . 5468 1 451 . 1 1 87 87 ASN C C 13 178.67 0.10 . 1 . . . . . . . . . 5468 1 452 . 1 1 87 87 ASN CA C 13 56.23 0.10 . 1 . . . . . . . . . 5468 1 453 . 1 1 87 87 ASN CB C 13 37.169 0.10 . 1 . . . . . . . . . 5468 1 454 . 1 1 87 87 ASN N N 15 136.5 0.15 . 1 . . . . . . . . . 5468 1 455 . 1 1 88 88 TYR H H 1 10.352 0.03 . 1 . . . . . . . . . 5468 1 456 . 1 1 88 88 TYR HA H 1 4.261 0.03 . 1 . . . . . . . . . 5468 1 457 . 1 1 88 88 TYR C C 13 176.779 0.10 . 1 . . . . . . . . . 5468 1 458 . 1 1 88 88 TYR CA C 13 61.31 0.10 . 1 . . . . . . . . . 5468 1 459 . 1 1 88 88 TYR CB C 13 38.386 0.10 . 1 . . . . . . . . . 5468 1 460 . 1 1 88 88 TYR N N 15 125.502 0.15 . 1 . . . . . . . . . 5468 1 461 . 1 1 89 89 ASN H H 1 7.833 0.03 . 1 . . . . . . . . . 5468 1 462 . 1 1 89 89 ASN HA H 1 3.888 0.03 . 1 . . . . . . . . . 5468 1 463 . 1 1 89 89 ASN C C 13 177.592 0.10 . 1 . . . . . . . . . 5468 1 464 . 1 1 89 89 ASN CA C 13 57.313 0.10 . 1 . . . . . . . . . 5468 1 465 . 1 1 89 89 ASN CB C 13 39.882 0.10 . 1 . . . . . . . . . 5468 1 466 . 1 1 89 89 ASN N N 15 116.632 0.15 . 1 . . . . . . . . . 5468 1 467 . 1 1 90 90 MET H H 1 7.415 0.03 . 1 . . . . . . . . . 5468 1 468 . 1 1 90 90 MET HA H 1 4.074 0.03 . 1 . . . . . . . . . 5468 1 469 . 1 1 90 90 MET C C 13 177.952 0.10 . 1 . . . . . . . . . 5468 1 470 . 1 1 90 90 MET CA C 13 59.191 0.10 . 1 . . . . . . . . . 5468 1 471 . 1 1 90 90 MET CB C 13 31.085 0.10 . 1 . . . . . . . . . 5468 1 472 . 1 1 90 90 MET N N 15 117.825 0.15 . 1 . . . . . . . . . 5468 1 473 . 1 1 91 91 ALA H H 1 8.281 0.03 . 1 . . . . . . . . . 5468 1 474 . 1 1 91 91 ALA HA H 1 3.9 0.03 . 1 . . . . . . . . . 5468 1 475 . 1 1 91 91 ALA C C 13 181.28 0.10 . 1 . . . . . . . . . 5468 1 476 . 1 1 91 91 ALA CA C 13 54.735 0.10 . 1 . . . . . . . . . 5468 1 477 . 1 1 91 91 ALA CB C 13 16.9 0.10 . 1 . . . . . . . . . 5468 1 478 . 1 1 91 91 ALA N N 15 120.231 0.15 . 1 . . . . . . . . . 5468 1 479 . 1 1 92 92 ARG H H 1 9.433 0.03 . 1 . . . . . . . . . 5468 1 480 . 1 1 92 92 ARG C C 13 177.223 0.10 . 1 . . . . . . . . . 5468 1 481 . 1 1 92 92 ARG CA C 13 59.836 0.10 . 1 . . . . . . . . . 5468 1 482 . 1 1 92 92 ARG CB C 13 28.587 0.10 . 1 . . . . . . . . . 5468 1 483 . 1 1 92 92 ARG N N 15 121.806 0.15 . 1 . . . . . . . . . 5468 1 484 . 1 1 93 93 GLU H H 1 7.916 0.03 . 1 . . . . . . . . . 5468 1 485 . 1 1 93 93 GLU HA H 1 3.73 0.03 . 1 . . . . . . . . . 5468 1 486 . 1 1 93 93 GLU C C 13 178.0 0.10 . 1 . . . . . . . . . 5468 1 487 . 1 1 93 93 GLU CA C 13 59.752 0.10 . 1 . . . . . . . . . 5468 1 488 . 1 1 93 93 GLU CB C 13 29.516 0.10 . 1 . . . . . . . . . 5468 1 489 . 1 1 93 93 GLU N N 15 118.881 0.15 . 1 . . . . . . . . . 5468 1 490 . 1 1 94 94 VAL H H 1 7.015 0.03 . 1 . . . . . . . . . 5468 1 491 . 1 1 94 94 VAL HA H 1 4.29 0.03 . 1 . . . . . . . . . 5468 1 492 . 1 1 94 94 VAL C C 13 175.267 0.10 . 1 . . . . . . . . . 5468 1 493 . 1 1 94 94 VAL CA C 13 61.489 0.10 . 1 . . . . . . . . . 5468 1 494 . 1 1 94 94 VAL CB C 13 33.081 0.10 . 1 . . . . . . . . . 5468 1 495 . 1 1 94 94 VAL N N 15 104.26 0.15 . 1 . . . . . . . . . 5468 1 496 . 1 1 95 95 LEU H H 1 7.5 0.03 . 1 . . . . . . . . . 5468 1 497 . 1 1 95 95 LEU C C 13 175.135 0.10 . 1 . . . . . . . . . 5468 1 498 . 1 1 95 95 LEU CA C 13 57.678 0.10 . 1 . . . . . . . . . 5468 1 499 . 1 1 95 95 LEU CB C 13 44.514 0.10 . 1 . . . . . . . . . 5468 1 500 . 1 1 95 95 LEU N N 15 117.532 0.15 . 1 . . . . . . . . . 5468 1 501 . 1 1 96 96 LEU H H 1 8.379 0.03 . 1 . . . . . . . . . 5468 1 502 . 1 1 96 96 LEU HA H 1 3.93 0.03 . 1 . . . . . . . . . 5468 1 503 . 1 1 96 96 LEU C C 13 177.668 0.10 . 1 . . . . . . . . . 5468 1 504 . 1 1 96 96 LEU CA C 13 56.949 0.10 . 1 . . . . . . . . . 5468 1 505 . 1 1 96 96 LEU CB C 13 40.453 0.10 . 1 . . . . . . . . . 5468 1 506 . 1 1 96 96 LEU N N 15 112.358 0.15 . 1 . . . . . . . . . 5468 1 507 . 1 1 97 97 HIS H H 1 8.663 0.03 . 1 . . . . . . . . . 5468 1 508 . 1 1 97 97 HIS HA H 1 4.5 0.03 . 1 . . . . . . . . . 5468 1 509 . 1 1 97 97 HIS C C 13 174.945 0.10 . 1 . . . . . . . . . 5468 1 510 . 1 1 97 97 HIS CA C 13 58.118 0.10 . 1 . . . . . . . . . 5468 1 511 . 1 1 97 97 HIS CB C 13 26.81 0.10 . 1 . . . . . . . . . 5468 1 512 . 1 1 97 97 HIS N N 15 114.383 0.15 . 1 . . . . . . . . . 5468 1 513 . 1 1 98 98 ASP H H 1 6.727 0.03 . 1 . . . . . . . . . 5468 1 514 . 1 1 98 98 ASP C C 13 174.321 0.10 . 1 . . . . . . . . . 5468 1 515 . 1 1 98 98 ASP CA C 13 53.446 0.10 . 1 . . . . . . . . . 5468 1 516 . 1 1 98 98 ASP CB C 13 43.205 0.10 . 1 . . . . . . . . . 5468 1 517 . 1 1 98 98 ASP N N 15 116.407 0.15 . 1 . . . . . . . . . 5468 1 518 . 1 1 99 99 ILE H H 1 7.442 0.03 . 1 . . . . . . . . . 5468 1 519 . 1 1 99 99 ILE C C 13 173.981 0.10 . 1 . . . . . . . . . 5468 1 520 . 1 1 99 99 ILE CA C 13 54.847 0.10 . 1 . . . . . . . . . 5468 1 521 . 1 1 99 99 ILE CB C 13 36.903 0.10 . 1 . . . . . . . . . 5468 1 522 . 1 1 99 99 ILE N N 15 120.681 0.15 . 1 . . . . . . . . . 5468 1 523 . 1 1 100 100 PRO HA H 1 4.44 0.03 . 1 . . . . . . . . . 5468 1 524 . 1 1 100 100 PRO C C 13 177.138 0.10 . 1 . . . . . . . . . 5468 1 525 . 1 1 100 100 PRO CA C 13 63.925 0.10 . 1 . . . . . . . . . 5468 1 526 . 1 1 100 100 PRO CB C 13 32.127 0.10 . 1 . . . . . . . . . 5468 1 527 . 1 1 101 101 ASP H H 1 8.369 0.03 . 1 . . . . . . . . . 5468 1 528 . 1 1 101 101 ASP HA H 1 4.1 0.03 . 1 . . . . . . . . . 5468 1 529 . 1 1 101 101 ASP C C 13 177.158 0.10 . 1 . . . . . . . . . 5468 1 530 . 1 1 101 101 ASP CA C 13 57.622 0.10 . 1 . . . . . . . . . 5468 1 531 . 1 1 101 101 ASP CB C 13 40.967 0.10 . 1 . . . . . . . . . 5468 1 532 . 1 1 101 101 ASP N N 15 120.661 0.15 . 1 . . . . . . . . . 5468 1 533 . 1 1 102 102 ASP H H 1 8.39 0.03 . 1 . . . . . . . . . 5468 1 534 . 1 1 102 102 ASP HA H 1 4.314 0.03 . 1 . . . . . . . . . 5468 1 535 . 1 1 102 102 ASP C C 13 175.437 0.10 . 1 . . . . . . . . . 5468 1 536 . 1 1 102 102 ASP CA C 13 54.567 0.10 . 1 . . . . . . . . . 5468 1 537 . 1 1 102 102 ASP CB C 13 38.856 0.10 . 1 . . . . . . . . . 5468 1 538 . 1 1 102 102 ASP N N 15 113.258 0.15 . 1 . . . . . . . . . 5468 1 539 . 1 1 103 103 LEU H H 1 7.862 0.03 . 1 . . . . . . . . . 5468 1 540 . 1 1 103 103 LEU HA H 1 4.65 0.03 . 1 . . . . . . . . . 5468 1 541 . 1 1 103 103 LEU C C 13 174.567 0.10 . 1 . . . . . . . . . 5468 1 542 . 1 1 103 103 LEU CA C 13 54.118 0.10 . 1 . . . . . . . . . 5468 1 543 . 1 1 103 103 LEU CB C 13 41.985 0.10 . 1 . . . . . . . . . 5468 1 544 . 1 1 103 103 LEU N N 15 116.407 0.15 . 1 . . . . . . . . . 5468 1 545 . 1 1 104 104 VAL H H 1 7.006 0.03 . 1 . . . . . . . . . 5468 1 546 . 1 1 104 104 VAL HA H 1 4.46 0.03 . 1 . . . . . . . . . 5468 1 547 . 1 1 104 104 VAL C C 13 174.132 0.10 . 1 . . . . . . . . . 5468 1 548 . 1 1 104 104 VAL CA C 13 62.655 0.10 . 1 . . . . . . . . . 5468 1 549 . 1 1 104 104 VAL CB C 13 33.859 0.10 . 1 . . . . . . . . . 5468 1 550 . 1 1 104 104 VAL N N 15 118.432 0.15 . 1 . . . . . . . . . 5468 1 551 . 1 1 105 105 PHE H H 1 8.607 0.03 . 1 . . . . . . . . . 5468 1 552 . 1 1 105 105 PHE HA H 1 4.48 0.03 . 1 . . . . . . . . . 5468 1 553 . 1 1 105 105 PHE C C 13 172.809 0.10 . 1 . . . . . . . . . 5468 1 554 . 1 1 105 105 PHE CA C 13 55.604 0.10 . 1 . . . . . . . . . 5468 1 555 . 1 1 105 105 PHE CB C 13 40.191 0.10 . 1 . . . . . . . . . 5468 1 556 . 1 1 105 105 PHE N N 15 123.755 0.15 . 1 . . . . . . . . . 5468 1 557 . 1 1 106 106 PRO HA H 1 3.9 0.03 . 1 . . . . . . . . . 5468 1 558 . 1 1 106 106 PRO C C 13 178.47 0.10 . 1 . . . . . . . . . 5468 1 559 . 1 1 106 106 PRO CA C 13 61.875 0.10 . 1 . . . . . . . . . 5468 1 560 . 1 1 106 106 PRO CB C 13 30.822 0.10 . 1 . . . . . . . . . 5468 1 561 . 1 1 107 107 PHE H H 1 8.14 0.03 . 1 . . . . . . . . . 5468 1 562 . 1 1 107 107 PHE HA H 1 4.0 0.03 . 1 . . . . . . . . . 5468 1 563 . 1 1 107 107 PHE C C 13 176.401 0.10 . 1 . . . . . . . . . 5468 1 564 . 1 1 107 107 PHE CA C 13 59.64 0.10 . 1 . . . . . . . . . 5468 1 565 . 1 1 107 107 PHE CB C 13 39.231 0.10 . 1 . . . . . . . . . 5468 1 566 . 1 1 107 107 PHE N N 15 116.407 0.15 . 1 . . . . . . . . . 5468 1 567 . 1 1 108 108 ASP H H 1 9.05 0.03 . 1 . . . . . . . . . 5468 1 568 . 1 1 108 108 ASP HA H 1 4.958 0.03 . 1 . . . . . . . . . 5468 1 569 . 1 1 108 108 ASP C C 13 176.666 0.10 . 1 . . . . . . . . . 5468 1 570 . 1 1 108 108 ASP CA C 13 53.165 0.10 . 1 . . . . . . . . . 5468 1 571 . 1 1 108 108 ASP CB C 13 39.448 0.10 . 1 . . . . . . . . . 5468 1 572 . 1 1 108 108 ASP N N 15 118.881 0.15 . 1 . . . . . . . . . 5468 1 573 . 1 1 109 109 THR H H 1 8.048 0.03 . 1 . . . . . . . . . 5468 1 574 . 1 1 109 109 THR HA H 1 4.3 0.03 . 1 . . . . . . . . . 5468 1 575 . 1 1 109 109 THR C C 13 175.872 0.10 . 1 . . . . . . . . . 5468 1 576 . 1 1 109 109 THR CA C 13 60.817 0.10 . 1 . . . . . . . . . 5468 1 577 . 1 1 109 109 THR CB C 13 68.01 0.10 . 1 . . . . . . . . . 5468 1 578 . 1 1 109 109 THR N N 15 114.216 0.15 . 1 . . . . . . . . . 5468 1 579 . 1 1 110 110 SER H H 1 8.328 0.03 . 1 . . . . . . . . . 5468 1 580 . 1 1 110 110 SER HA H 1 4.41 0.03 . 1 . . . . . . . . . 5468 1 581 . 1 1 110 110 SER C C 13 175.04 0.10 . 1 . . . . . . . . . 5468 1 582 . 1 1 110 110 SER CA C 13 61.953 0.10 . 1 . . . . . . . . . 5468 1 583 . 1 1 110 110 SER CB C 13 63.076 0.10 . 1 . . . . . . . . . 5468 1 584 . 1 1 110 110 SER N N 15 116.794 0.15 . 1 . . . . . . . . . 5468 1 585 . 1 1 111 111 ALA H H 1 8.399 0.03 . 1 . . . . . . . . . 5468 1 586 . 1 1 111 111 ALA HA H 1 4.372 0.03 . 1 . . . . . . . . . 5468 1 587 . 1 1 111 111 ALA C C 13 177.762 0.10 . 1 . . . . . . . . . 5468 1 588 . 1 1 111 111 ALA CA C 13 52.437 0.10 . 1 . . . . . . . . . 5468 1 589 . 1 1 111 111 ALA CB C 13 18.339 0.10 . 1 . . . . . . . . . 5468 1 590 . 1 1 111 111 ALA N N 15 122.256 0.15 . 1 . . . . . . . . . 5468 1 591 . 1 1 112 112 VAL H H 1 7.751 0.03 . 1 . . . . . . . . . 5468 1 592 . 1 1 112 112 VAL HA H 1 3.978 0.03 . 1 . . . . . . . . . 5468 1 593 . 1 1 112 112 VAL C C 13 175.439 0.10 . 1 . . . . . . . . . 5468 1 594 . 1 1 112 112 VAL CA C 13 62.919 0.10 . 1 . . . . . . . . . 5468 1 595 . 1 1 112 112 VAL CB C 13 31.037 0.10 . 1 . . . . . . . . . 5468 1 596 . 1 1 112 112 VAL N N 15 119.057 0.15 . 1 . . . . . . . . . 5468 1 597 . 1 1 113 113 THR H H 1 8.523 0.03 . 1 . . . . . . . . . 5468 1 598 . 1 1 113 113 THR HA H 1 4.95 0.03 . 1 . . . . . . . . . 5468 1 599 . 1 1 113 113 THR C C 13 173.786 0.10 . 1 . . . . . . . . . 5468 1 600 . 1 1 113 113 THR CA C 13 59.191 0.10 . 1 . . . . . . . . . 5468 1 601 . 1 1 113 113 THR CB C 13 69.433 0.10 . 1 . . . . . . . . . 5468 1 602 . 1 1 113 113 THR N N 15 119.106 0.15 . 1 . . . . . . . . . 5468 1 603 . 1 1 114 114 PRO HA H 1 4.41 0.03 . 1 . . . . . . . . . 5468 1 604 . 1 1 114 114 PRO C C 13 177.3 0.10 . 1 . . . . . . . . . 5468 1 605 . 1 1 114 114 PRO CA C 13 59.391 0.10 . 1 . . . . . . . . . 5468 1 606 . 1 1 114 114 PRO CB C 13 31.816 0.10 . 1 . . . . . . . . . 5468 1 607 . 1 1 115 115 SER H H 1 7.844 0.03 . 1 . . . . . . . . . 5468 1 608 . 1 1 115 115 SER HA H 1 4.34 0.03 . 1 . . . . . . . . . 5468 1 609 . 1 1 115 115 SER C C 13 173.453 0.10 . 1 . . . . . . . . . 5468 1 610 . 1 1 115 115 SER CA C 13 59.258 0.10 . 1 . . . . . . . . . 5468 1 611 . 1 1 115 115 SER CB C 13 63.712 0.10 . 1 . . . . . . . . . 5468 1 612 . 1 1 115 115 SER N N 15 110.109 0.15 . 1 . . . . . . . . . 5468 1 613 . 1 1 116 116 ALA H H 1 7.61 0.03 . 1 . . . . . . . . . 5468 1 614 . 1 1 116 116 ALA HA H 1 4.54 0.03 . 1 . . . . . . . . . 5468 1 615 . 1 1 116 116 ALA C C 13 176.174 0.10 . 1 . . . . . . . . . 5468 1 616 . 1 1 116 116 ALA CA C 13 51.876 0.10 . 1 . . . . . . . . . 5468 1 617 . 1 1 116 116 ALA CB C 13 20.592 0.10 . 1 . . . . . . . . . 5468 1 618 . 1 1 116 116 ALA N N 15 122.982 0.15 . 1 . . . . . . . . . 5468 1 619 . 1 1 117 117 GLU H H 1 8.454 0.03 . 1 . . . . . . . . . 5468 1 620 . 1 1 117 117 GLU HA H 1 4.383 0.03 . 1 . . . . . . . . . 5468 1 621 . 1 1 117 117 GLU C C 13 176.723 0.10 . 1 . . . . . . . . . 5468 1 622 . 1 1 117 117 GLU CA C 13 56.304 0.10 . 1 . . . . . . . . . 5468 1 623 . 1 1 117 117 GLU CB C 13 30.278 0.10 . 1 . . . . . . . . . 5468 1 624 . 1 1 117 117 GLU N N 15 120.146 0.15 . 1 . . . . . . . . . 5468 1 625 . 1 1 118 118 ALA H H 1 8.878 0.03 . 1 . . . . . . . . . 5468 1 626 . 1 1 118 118 ALA HA H 1 4.61 0.03 . 1 . . . . . . . . . 5468 1 627 . 1 1 118 118 ALA C C 13 178.141 0.10 . 1 . . . . . . . . . 5468 1 628 . 1 1 118 118 ALA CA C 13 52.234 0.10 . 1 . . . . . . . . . 5468 1 629 . 1 1 118 118 ALA CB C 13 19.767 0.10 . 1 . . . . . . . . . 5468 1 630 . 1 1 118 118 ALA N N 15 125.302 0.15 . 1 . . . . . . . . . 5468 1 631 . 1 1 119 119 THR H H 1 9.084 0.03 . 1 . . . . . . . . . 5468 1 632 . 1 1 119 119 THR HA H 1 4.53 0.03 . 1 . . . . . . . . . 5468 1 633 . 1 1 119 119 THR C C 13 175.324 0.10 . 1 . . . . . . . . . 5468 1 634 . 1 1 119 119 THR CA C 13 60.057 0.10 . 1 . . . . . . . . . 5468 1 635 . 1 1 119 119 THR CB C 13 72.49 0.10 . 1 . . . . . . . . . 5468 1 636 . 1 1 119 119 THR N N 15 112.154 0.15 . 1 . . . . . . . . . 5468 1 637 . 1 1 120 120 SER H H 1 8.119 0.03 . 1 . . . . . . . . . 5468 1 638 . 1 1 120 120 SER HA H 1 3.98 0.03 . 1 . . . . . . . . . 5468 1 639 . 1 1 120 120 SER C C 13 176.206 0.10 . 1 . . . . . . . . . 5468 1 640 . 1 1 120 120 SER CA C 13 61.066 0.10 . 1 . . . . . . . . . 5468 1 641 . 1 1 120 120 SER N N 15 113.385 0.15 . 1 . . . . . . . . . 5468 1 642 . 1 1 121 121 ALA H H 1 7.454 0.03 . 1 . . . . . . . . . 5468 1 643 . 1 1 121 121 ALA HA H 1 3.95 0.03 . 1 . . . . . . . . . 5468 1 644 . 1 1 121 121 ALA C C 13 180.792 0.10 . 1 . . . . . . . . . 5468 1 645 . 1 1 121 121 ALA CA C 13 54.915 0.10 . 1 . . . . . . . . . 5468 1 646 . 1 1 121 121 ALA CB C 13 18.054 0.10 . 1 . . . . . . . . . 5468 1 647 . 1 1 121 121 ALA N N 15 122.013 0.15 . 1 . . . . . . . . . 5468 1 648 . 1 1 122 122 ASP H H 1 7.393 0.03 . 1 . . . . . . . . . 5468 1 649 . 1 1 122 122 ASP HA H 1 4.25 0.03 . 1 . . . . . . . . . 5468 1 650 . 1 1 122 122 ASP C C 13 178.457 0.10 . 1 . . . . . . . . . 5468 1 651 . 1 1 122 122 ASP CA C 13 57.369 0.10 . 1 . . . . . . . . . 5468 1 652 . 1 1 122 122 ASP CB C 13 41.072 0.10 . 1 . . . . . . . . . 5468 1 653 . 1 1 122 122 ASP N N 15 117.757 0.15 . 1 . . . . . . . . . 5468 1 654 . 1 1 123 123 ALA H H 1 7.861 0.03 . 1 . . . . . . . . . 5468 1 655 . 1 1 123 123 ALA HA H 1 4.133 0.03 . 1 . . . . . . . . . 5468 1 656 . 1 1 123 123 ALA C C 13 178.254 0.10 . 1 . . . . . . . . . 5468 1 657 . 1 1 123 123 ALA CA C 13 54.875 0.10 . 1 . . . . . . . . . 5468 1 658 . 1 1 123 123 ALA CB C 13 17.864 0.10 . 1 . . . . . . . . . 5468 1 659 . 1 1 123 123 ALA N N 15 121.581 0.15 . 1 . . . . . . . . . 5468 1 660 . 1 1 124 124 MET H H 1 8.627 0.03 . 1 . . . . . . . . . 5468 1 661 . 1 1 124 124 MET HA H 1 4.04 0.03 . 1 . . . . . . . . . 5468 1 662 . 1 1 124 124 MET C C 13 178.67 0.10 . 1 . . . . . . . . . 5468 1 663 . 1 1 124 124 MET CA C 13 58.403 0.10 . 1 . . . . . . . . . 5468 1 664 . 1 1 124 124 MET CB C 13 31.734 0.10 . 1 . . . . . . . . . 5468 1 665 . 1 1 124 124 MET N N 15 116.536 0.15 . 1 . . . . . . . . . 5468 1 666 . 1 1 125 125 ARG H H 1 7.547 0.03 . 1 . . . . . . . . . 5468 1 667 . 1 1 125 125 ARG HA H 1 4.181 0.03 . 1 . . . . . . . . . 5468 1 668 . 1 1 125 125 ARG C C 13 179.824 0.10 . 1 . . . . . . . . . 5468 1 669 . 1 1 125 125 ARG CA C 13 59.811 0.10 . 1 . . . . . . . . . 5468 1 670 . 1 1 125 125 ARG CB C 13 30.003 0.10 . 1 . . . . . . . . . 5468 1 671 . 1 1 125 125 ARG N N 15 118.656 0.15 . 1 . . . . . . . . . 5468 1 672 . 1 1 126 126 VAL H H 1 7.592 0.03 . 1 . . . . . . . . . 5468 1 673 . 1 1 126 126 VAL HA H 1 4.0 0.03 . 1 . . . . . . . . . 5468 1 674 . 1 1 126 126 VAL C C 13 178.784 0.10 . 1 . . . . . . . . . 5468 1 675 . 1 1 126 126 VAL CA C 13 66.317 0.10 . 1 . . . . . . . . . 5468 1 676 . 1 1 126 126 VAL CB C 13 31.681 0.10 . 1 . . . . . . . . . 5468 1 677 . 1 1 126 126 VAL N N 15 121.435 0.15 . 1 . . . . . . . . . 5468 1 678 . 1 1 127 127 ALA H H 1 8.883 0.03 . 1 . . . . . . . . . 5468 1 679 . 1 1 127 127 ALA HA H 1 4.0 0.03 . 1 . . . . . . . . . 5468 1 680 . 1 1 127 127 ALA C C 13 179.691 0.10 . 1 . . . . . . . . . 5468 1 681 . 1 1 127 127 ALA CA C 13 55.843 0.10 . 1 . . . . . . . . . 5468 1 682 . 1 1 127 127 ALA CB C 13 18.315 0.10 . 1 . . . . . . . . . 5468 1 683 . 1 1 127 127 ALA N N 15 122.724 0.15 . 1 . . . . . . . . . 5468 1 684 . 1 1 128 128 GLU H H 1 8.506 0.03 . 1 . . . . . . . . . 5468 1 685 . 1 1 128 128 GLU HA H 1 4.133 0.03 . 1 . . . . . . . . . 5468 1 686 . 1 1 128 128 GLU C C 13 179.937 0.10 . 1 . . . . . . . . . 5468 1 687 . 1 1 128 128 GLU CA C 13 59.285 0.10 . 1 . . . . . . . . . 5468 1 688 . 1 1 128 128 GLU CB C 13 29.445 0.10 . 1 . . . . . . . . . 5468 1 689 . 1 1 128 128 GLU N N 15 117.31 0.15 . 1 . . . . . . . . . 5468 1 690 . 1 1 129 129 ALA H H 1 7.848 0.03 . 1 . . . . . . . . . 5468 1 691 . 1 1 129 129 ALA HA H 1 4.22 0.03 . 1 . . . . . . . . . 5468 1 692 . 1 1 129 129 ALA C C 13 180.939 0.10 . 1 . . . . . . . . . 5468 1 693 . 1 1 129 129 ALA CA C 13 55.211 0.10 . 1 . . . . . . . . . 5468 1 694 . 1 1 129 129 ALA CB C 13 18.261 0.10 . 1 . . . . . . . . . 5468 1 695 . 1 1 129 129 ALA N N 15 120.404 0.15 . 1 . . . . . . . . . 5468 1 696 . 1 1 130 130 TYR H H 1 8.586 0.03 . 1 . . . . . . . . . 5468 1 697 . 1 1 130 130 TYR HA H 1 4.537 0.03 . 1 . . . . . . . . . 5468 1 698 . 1 1 130 130 TYR C C 13 179.067 0.10 . 1 . . . . . . . . . 5468 1 699 . 1 1 130 130 TYR CA C 13 61.883 0.10 . 1 . . . . . . . . . 5468 1 700 . 1 1 130 130 TYR CB C 13 39.553 0.10 . 1 . . . . . . . . . 5468 1 701 . 1 1 130 130 TYR N N 15 120.919 0.15 . 1 . . . . . . . . . 5468 1 702 . 1 1 131 131 GLY H H 1 8.914 0.03 . 1 . . . . . . . . . 5468 1 703 . 1 1 131 131 GLY HA2 H 1 3.95 0.03 . 2 . . . . . . . . . 5468 1 704 . 1 1 131 131 GLY HA3 H 1 4.11 0.03 . 2 . . . . . . . . . 5468 1 705 . 1 1 131 131 GLY C C 13 176.401 0.10 . 1 . . . . . . . . . 5468 1 706 . 1 1 131 131 GLY CA C 13 47.803 0.10 . 1 . . . . . . . . . 5468 1 707 . 1 1 131 131 GLY N N 15 104.161 0.15 . 1 . . . . . . . . . 5468 1 708 . 1 1 132 132 LYS H H 1 7.75 0.03 . 1 . . . . . . . . . 5468 1 709 . 1 1 132 132 LYS HA H 1 4.058 0.03 . 1 . . . . . . . . . 5468 1 710 . 1 1 132 132 LYS C C 13 179.426 0.10 . 1 . . . . . . . . . 5468 1 711 . 1 1 132 132 LYS CA C 13 59.53 0.10 . 1 . . . . . . . . . 5468 1 712 . 1 1 132 132 LYS CB C 13 32.123 0.10 . 1 . . . . . . . . . 5468 1 713 . 1 1 132 132 LYS N N 15 120.146 0.15 . 1 . . . . . . . . . 5468 1 714 . 1 1 133 133 GLN H H 1 7.612 0.03 . 1 . . . . . . . . . 5468 1 715 . 1 1 133 133 GLN HA H 1 4.04 0.03 . 1 . . . . . . . . . 5468 1 716 . 1 1 133 133 GLN C C 13 179.49 0.10 . 1 . . . . . . . . . 5468 1 717 . 1 1 133 133 GLN CA C 13 59.247 0.10 . 1 . . . . . . . . . 5468 1 718 . 1 1 133 133 GLN CB C 13 28.65 0.10 . 1 . . . . . . . . . 5468 1 719 . 1 1 133 133 GLN N N 15 119.556 0.15 . 1 . . . . . . . . . 5468 1 720 . 1 1 134 134 LEU H H 1 8.627 0.03 . 1 . . . . . . . . . 5468 1 721 . 1 1 134 134 LEU HA H 1 3.392 0.03 . 1 . . . . . . . . . 5468 1 722 . 1 1 134 134 LEU C C 13 178.387 0.10 . 1 . . . . . . . . . 5468 1 723 . 1 1 134 134 LEU CA C 13 58.126 0.10 . 1 . . . . . . . . . 5468 1 724 . 1 1 134 134 LEU CB C 13 41.385 0.10 . 1 . . . . . . . . . 5468 1 725 . 1 1 134 134 LEU N N 15 117.982 0.15 . 1 . . . . . . . . . 5468 1 726 . 1 1 135 135 ALA H H 1 7.595 0.03 . 1 . . . . . . . . . 5468 1 727 . 1 1 135 135 ALA HA H 1 3.936 0.03 . 1 . . . . . . . . . 5468 1 728 . 1 1 135 135 ALA C C 13 177.818 0.10 . 1 . . . . . . . . . 5468 1 729 . 1 1 135 135 ALA CA C 13 53.754 0.10 . 1 . . . . . . . . . 5468 1 730 . 1 1 135 135 ALA CB C 13 17.937 0.10 . 1 . . . . . . . . . 5468 1 731 . 1 1 135 135 ALA N N 15 115.507 0.15 . 1 . . . . . . . . . 5468 1 732 . 1 1 136 136 SER H H 1 7.417 0.03 . 1 . . . . . . . . . 5468 1 733 . 1 1 136 136 SER HA H 1 4.4 0.03 . 1 . . . . . . . . . 5468 1 734 . 1 1 136 136 SER C C 13 174.737 0.10 . 1 . . . . . . . . . 5468 1 735 . 1 1 136 136 SER CA C 13 59.53 0.10 . 1 . . . . . . . . . 5468 1 736 . 1 1 136 136 SER CB C 13 64.787 0.10 . 1 . . . . . . . . . 5468 1 737 . 1 1 136 136 SER N N 15 110.865 0.15 . 1 . . . . . . . . . 5468 1 738 . 1 1 137 137 LEU H H 1 7.167 0.03 . 1 . . . . . . . . . 5468 1 739 . 1 1 137 137 LEU HA H 1 4.394 0.03 . 1 . . . . . . . . . 5468 1 740 . 1 1 137 137 LEU C C 13 176.212 0.10 . 1 . . . . . . . . . 5468 1 741 . 1 1 137 137 LEU CA C 13 55.968 0.10 . 1 . . . . . . . . . 5468 1 742 . 1 1 137 137 LEU CB C 13 45.525 0.10 . 1 . . . . . . . . . 5468 1 743 . 1 1 137 137 LEU N N 15 119.331 0.15 . 1 . . . . . . . . . 5468 1 744 . 1 1 138 138 LEU H H 1 7.537 0.03 . 1 . . . . . . . . . 5468 1 745 . 1 1 138 138 LEU HA H 1 4.46 0.03 . 1 . . . . . . . . . 5468 1 746 . 1 1 138 138 LEU C C 13 173.147 0.10 . 1 . . . . . . . . . 5468 1 747 . 1 1 138 138 LEU CA C 13 53.081 0.10 . 1 . . . . . . . . . 5468 1 748 . 1 1 138 138 LEU CB C 13 40.499 0.10 . 1 . . . . . . . . . 5468 1 749 . 1 1 138 138 LEU N N 15 120.456 0.15 . 1 . . . . . . . . . 5468 1 750 . 1 1 139 139 PRO C C 13 175.26 0.10 . 1 . . . . . . . . . 5468 1 751 . 1 1 139 139 PRO CA C 13 62.313 0.10 . 1 . . . . . . . . . 5468 1 752 . 1 1 139 139 PRO CB C 13 31.322 0.10 . 1 . . . . . . . . . 5468 1 753 . 1 1 140 140 LEU H H 1 8.002 0.03 . 1 . . . . . . . . . 5468 1 754 . 1 1 140 140 LEU HA H 1 4.83 0.03 . 1 . . . . . . . . . 5468 1 755 . 1 1 140 140 LEU C C 13 177.684 0.10 . 1 . . . . . . . . . 5468 1 756 . 1 1 140 140 LEU CA C 13 53.109 0.10 . 1 . . . . . . . . . 5468 1 757 . 1 1 140 140 LEU CB C 13 44.879 0.10 . 1 . . . . . . . . . 5468 1 758 . 1 1 140 140 LEU N N 15 117.307 0.15 . 1 . . . . . . . . . 5468 1 759 . 1 1 141 141 LYS H H 1 8.841 0.03 . 1 . . . . . . . . . 5468 1 760 . 1 1 141 141 LYS HA H 1 4.548 0.03 . 1 . . . . . . . . . 5468 1 761 . 1 1 141 141 LYS C C 13 175.305 0.10 . 1 . . . . . . . . . 5468 1 762 . 1 1 141 141 LYS CA C 13 54.819 0.10 . 1 . . . . . . . . . 5468 1 763 . 1 1 141 141 LYS CB C 13 36.581 0.10 . 1 . . . . . . . . . 5468 1 764 . 1 1 141 141 LYS N N 15 122.705 0.15 . 1 . . . . . . . . . 5468 1 765 . 1 1 142 142 SER H H 1 8.632 0.03 . 1 . . . . . . . . . 5468 1 766 . 1 1 142 142 SER HA H 1 4.43 0.03 . 1 . . . . . . . . . 5468 1 767 . 1 1 142 142 SER C C 13 174.227 0.10 . 1 . . . . . . . . . 5468 1 768 . 1 1 142 142 SER CA C 13 59.247 0.10 . 1 . . . . . . . . . 5468 1 769 . 1 1 142 142 SER CB C 13 64.136 0.10 . 1 . . . . . . . . . 5468 1 770 . 1 1 142 142 SER N N 15 120.456 0.15 . 1 . . . . . . . . . 5468 1 771 . 1 1 143 143 VAL H H 1 8.292 0.03 . 1 . . . . . . . . . 5468 1 772 . 1 1 143 143 VAL HA H 1 3.898 0.03 . 1 . . . . . . . . . 5468 1 773 . 1 1 143 143 VAL C C 13 176.401 0.10 . 1 . . . . . . . . . 5468 1 774 . 1 1 143 143 VAL CA C 13 62.655 0.10 . 1 . . . . . . . . . 5468 1 775 . 1 1 143 143 VAL CB C 13 30.868 0.10 . 1 . . . . . . . . . 5468 1 776 . 1 1 143 143 VAL N N 15 124.271 0.15 . 1 . . . . . . . . . 5468 1 777 . 1 1 144 144 GLY H H 1 8.071 0.03 . 1 . . . . . . . . . 5468 1 778 . 1 1 144 144 GLY HA2 H 1 3.73 0.03 . 2 . . . . . . . . . 5468 1 779 . 1 1 144 144 GLY HA3 H 1 4.10 0.03 . 2 . . . . . . . . . 5468 1 780 . 1 1 144 144 GLY C C 13 173.962 0.10 . 1 . . . . . . . . . 5468 1 781 . 1 1 144 144 GLY CA C 13 44.361 0.10 . 1 . . . . . . . . . 5468 1 782 . 1 1 144 144 GLY N N 15 113.443 0.15 . 1 . . . . . . . . . 5468 1 783 . 1 1 145 145 GLU H H 1 8.441 0.03 . 1 . . . . . . . . . 5468 1 784 . 1 1 145 145 GLU HA H 1 3.99 0.03 . 1 . . . . . . . . . 5468 1 785 . 1 1 145 145 GLU C C 13 177.37 0.10 . 1 . . . . . . . . . 5468 1 786 . 1 1 145 145 GLU CA C 13 58.201 0.10 . 1 . . . . . . . . . 5468 1 787 . 1 1 145 145 GLU CB C 13 28.9 0.10 . 1 . . . . . . . . . 5468 1 788 . 1 1 145 145 GLU N N 15 120.456 0.15 . 1 . . . . . . . . . 5468 1 789 . 1 1 146 146 ALA H H 1 8.756 0.03 . 1 . . . . . . . . . 5468 1 790 . 1 1 146 146 ALA HA H 1 4.26 0.03 . 1 . . . . . . . . . 5468 1 791 . 1 1 146 146 ALA C C 13 177.4 0.10 . 1 . . . . . . . . . 5468 1 792 . 1 1 146 146 ALA CA C 13 52.417 0.10 . 1 . . . . . . . . . 5468 1 793 . 1 1 146 146 ALA CB C 13 18.153 0.10 . 1 . . . . . . . . . 5468 1 794 . 1 1 146 146 ALA N N 15 123.38 0.15 . 1 . . . . . . . . . 5468 1 795 . 1 1 147 147 GLY H H 1 7.449 0.03 . 1 . . . . . . . . . 5468 1 796 . 1 1 147 147 GLY HA2 H 1 4.10 0.03 . 1 . . . . . . . . . 5468 1 797 . 1 1 147 147 GLY HA3 H 1 4.10 0.03 . 1 . . . . . . . . . 5468 1 798 . 1 1 147 147 GLY C C 13 171.605 0.10 . 1 . . . . . . . . . 5468 1 799 . 1 1 147 147 GLY CA C 13 44.841 0.10 . 1 . . . . . . . . . 5468 1 800 . 1 1 147 147 GLY N N 15 105.16 0.15 . 1 . . . . . . . . . 5468 1 801 . 1 1 148 148 PRO HA H 1 4.3 0.03 . 1 . . . . . . . . . 5468 1 802 . 1 1 148 148 PRO C C 13 175.046 0.10 . 1 . . . . . . . . . 5468 1 803 . 1 1 148 148 PRO CA C 13 62.747 0.10 . 1 . . . . . . . . . 5468 1 804 . 1 1 148 148 PRO CB C 13 31.757 0.10 . 1 . . . . . . . . . 5468 1 805 . 1 1 149 149 LYS H H 1 8.161 0.03 . 1 . . . . . . . . . 5468 1 806 . 1 1 149 149 LYS HA H 1 4.63 0.03 . 1 . . . . . . . . . 5468 1 807 . 1 1 149 149 LYS C C 13 176.742 0.10 . 1 . . . . . . . . . 5468 1 808 . 1 1 149 149 LYS CA C 13 55.422 0.10 . 1 . . . . . . . . . 5468 1 809 . 1 1 149 149 LYS CB C 13 33.952 0.10 . 1 . . . . . . . . . 5468 1 810 . 1 1 149 149 LYS N N 15 117.052 0.15 . 1 . . . . . . . . . 5468 1 811 . 1 1 150 150 VAL H H 1 8.725 0.03 . 1 . . . . . . . . . 5468 1 812 . 1 1 150 150 VAL HA H 1 4.617 0.03 . 1 . . . . . . . . . 5468 1 813 . 1 1 150 150 VAL C C 13 172.53 0.10 . 1 . . . . . . . . . 5468 1 814 . 1 1 150 150 VAL CA C 13 57.818 0.10 . 1 . . . . . . . . . 5468 1 815 . 1 1 150 150 VAL CB C 13 34.115 0.10 . 1 . . . . . . . . . 5468 1 816 . 1 1 150 150 VAL N N 15 119.556 0.15 . 1 . . . . . . . . . 5468 1 817 . 1 1 151 151 PRO HA H 1 4.67 0.03 . 1 . . . . . . . . . 5468 1 818 . 1 1 151 151 PRO C C 13 175.474 0.10 . 1 . . . . . . . . . 5468 1 819 . 1 1 151 151 PRO CA C 13 61.754 0.10 . 1 . . . . . . . . . 5468 1 820 . 1 1 151 151 PRO CB C 13 32.129 0.10 . 1 . . . . . . . . . 5468 1 821 . 1 1 152 152 VAL H H 1 8.343 0.03 . 1 . . . . . . . . . 5468 1 822 . 1 1 152 152 VAL C C 13 174.992 0.10 . 1 . . . . . . . . . 5468 1 823 . 1 1 152 152 VAL CA C 13 61.658 0.10 . 1 . . . . . . . . . 5468 1 824 . 1 1 152 152 VAL CB C 13 32.708 0.10 . 1 . . . . . . . . . 5468 1 825 . 1 1 152 152 VAL N N 15 121.356 0.15 . 1 . . . . . . . . . 5468 1 826 . 1 1 153 153 PHE H H 1 8.41 0.03 . 1 . . . . . . . . . 5468 1 827 . 1 1 153 153 PHE C C 13 176.95 0.10 . 1 . . . . . . . . . 5468 1 828 . 1 1 153 153 PHE CA C 13 58.006 0.10 . 1 . . . . . . . . . 5468 1 829 . 1 1 153 153 PHE CB C 13 41.094 0.10 . 1 . . . . . . . . . 5468 1 830 . 1 1 153 153 PHE N N 15 124.271 0.15 . 1 . . . . . . . . . 5468 1 831 . 1 1 154 154 ASP H H 1 8.849 0.03 . 1 . . . . . . . . . 5468 1 832 . 1 1 154 154 ASP HA H 1 4.6 0.03 . 1 . . . . . . . . . 5468 1 833 . 1 1 154 154 ASP C C 13 177.025 0.10 . 1 . . . . . . . . . 5468 1 834 . 1 1 154 154 ASP CA C 13 59.179 0.10 . 1 . . . . . . . . . 5468 1 835 . 1 1 154 154 ASP CB C 13 42.106 0.10 . 1 . . . . . . . . . 5468 1 836 . 1 1 154 154 ASP N N 15 120.146 0.15 . 1 . . . . . . . . . 5468 1 837 . 1 1 155 155 VAL H H 1 8.62 0.03 . 1 . . . . . . . . . 5468 1 838 . 1 1 155 155 VAL HA H 1 5.01 0.03 . 1 . . . . . . . . . 5468 1 839 . 1 1 155 155 VAL C C 13 174.208 0.10 . 1 . . . . . . . . . 5468 1 840 . 1 1 155 155 VAL CA C 13 60.935 0.10 . 1 . . . . . . . . . 5468 1 841 . 1 1 155 155 VAL CB C 13 35.649 0.10 . 1 . . . . . . . . . 5468 1 842 . 1 1 155 155 VAL N N 15 115.763 0.15 . 1 . . . . . . . . . 5468 1 843 . 1 1 156 156 VAL H H 1 8.716 0.03 . 1 . . . . . . . . . 5468 1 844 . 1 1 156 156 VAL HA H 1 5.26 0.03 . 1 . . . . . . . . . 5468 1 845 . 1 1 156 156 VAL C C 13 173.452 0.10 . 1 . . . . . . . . . 5468 1 846 . 1 1 156 156 VAL CA C 13 61.989 0.10 . 1 . . . . . . . . . 5468 1 847 . 1 1 156 156 VAL CB C 13 34.453 0.10 . 1 . . . . . . . . . 5468 1 848 . 1 1 156 156 VAL N N 15 125.502 0.15 . 1 . . . . . . . . . 5468 1 849 . 1 1 157 157 LEU H H 1 8.148 0.03 . 1 . . . . . . . . . 5468 1 850 . 1 1 157 157 LEU HA H 1 5.28 0.03 . 1 . . . . . . . . . 5468 1 851 . 1 1 157 157 LEU C C 13 174.284 0.10 . 1 . . . . . . . . . 5468 1 852 . 1 1 157 157 LEU CA C 13 53.138 0.10 . 1 . . . . . . . . . 5468 1 853 . 1 1 157 157 LEU CB C 13 44.016 0.10 . 1 . . . . . . . . . 5468 1 854 . 1 1 157 157 LEU N N 15 126.791 0.15 . 1 . . . . . . . . . 5468 1 855 . 1 1 158 158 LEU H H 1 9.073 0.03 . 1 . . . . . . . . . 5468 1 856 . 1 1 158 158 LEU HA H 1 4.78 0.03 . 1 . . . . . . . . . 5468 1 857 . 1 1 158 158 LEU C C 13 175.721 0.10 . 1 . . . . . . . . . 5468 1 858 . 1 1 158 158 LEU CA C 13 53.28 0.10 . 1 . . . . . . . . . 5468 1 859 . 1 1 158 158 LEU CB C 13 46.393 0.10 . 1 . . . . . . . . . 5468 1 860 . 1 1 158 158 LEU N N 15 120.44 0.15 . 1 . . . . . . . . . 5468 1 861 . 1 1 159 159 GLY H H 1 8.745 0.03 . 1 . . . . . . . . . 5468 1 862 . 1 1 159 159 GLY HA2 H 1 4.95 0.03 . 1 . . . . . . . . . 5468 1 863 . 1 1 159 159 GLY HA3 H 1 4.95 0.03 . 1 . . . . . . . . . 5468 1 864 . 1 1 159 159 GLY C C 13 173.055 0.10 . 1 . . . . . . . . . 5468 1 865 . 1 1 159 159 GLY CA C 13 42.403 0.10 . 1 . . . . . . . . . 5468 1 866 . 1 1 159 159 GLY N N 15 105.45 0.15 . 1 . . . . . . . . . 5468 1 867 . 1 1 160 160 LEU H H 1 7.996 0.03 . 1 . . . . . . . . . 5468 1 868 . 1 1 160 160 LEU HA H 1 4.31 0.03 . 1 . . . . . . . . . 5468 1 869 . 1 1 160 160 LEU C C 13 176.553 0.10 . 1 . . . . . . . . . 5468 1 870 . 1 1 160 160 LEU CA C 13 52.801 0.10 . 1 . . . . . . . . . 5468 1 871 . 1 1 160 160 LEU CB C 13 45.694 0.10 . 1 . . . . . . . . . 5468 1 872 . 1 1 160 160 LEU N N 15 114.216 0.15 . 1 . . . . . . . . . 5468 1 873 . 1 1 161 161 GLY H H 1 7.843 0.03 . 1 . . . . . . . . . 5468 1 874 . 1 1 161 161 GLY C C 13 175.796 0.10 . 1 . . . . . . . . . 5468 1 875 . 1 1 161 161 GLY CA C 13 43.104 0.10 . 1 . . . . . . . . . 5468 1 876 . 1 1 161 161 GLY N N 15 103.81 0.15 . 1 . . . . . . . . . 5468 1 877 . 1 1 162 162 SER H H 1 9.544 0.03 . 1 . . . . . . . . . 5468 1 878 . 1 1 162 162 SER C C 13 173.571 0.10 . 1 . . . . . . . . . 5468 1 879 . 1 1 162 162 SER CA C 13 61.399 0.10 . 1 . . . . . . . . . 5468 1 880 . 1 1 162 162 SER CB C 13 63.549 0.10 . 1 . . . . . . . . . 5468 1 881 . 1 1 162 162 SER N N 15 116.407 0.15 . 1 . . . . . . . . . 5468 1 882 . 1 1 163 163 ASP H H 1 8.669 0.03 . 1 . . . . . . . . . 5468 1 883 . 1 1 163 163 ASP HA H 1 5.12 0.03 . 1 . . . . . . . . . 5468 1 884 . 1 1 163 163 ASP C C 13 178.235 0.10 . 1 . . . . . . . . . 5468 1 885 . 1 1 163 163 ASP CA C 13 53.894 0.10 . 1 . . . . . . . . . 5468 1 886 . 1 1 163 163 ASP CB C 13 41.072 0.10 . 1 . . . . . . . . . 5468 1 887 . 1 1 163 163 ASP N N 15 117.307 0.15 . 1 . . . . . . . . . 5468 1 888 . 1 1 164 164 GLY H H 1 8.38 0.03 . 1 . . . . . . . . . 5468 1 889 . 1 1 164 164 GLY HA2 H 1 3.90 0.03 . 1 . . . . . . . . . 5468 1 890 . 1 1 164 164 GLY HA3 H 1 3.90 0.03 . 1 . . . . . . . . . 5468 1 891 . 1 1 164 164 GLY C C 13 171.845 0.10 . 1 . . . . . . . . . 5468 1 892 . 1 1 164 164 GLY CA C 13 45.486 0.10 . 1 . . . . . . . . . 5468 1 893 . 1 1 164 164 GLY N N 15 108.534 0.15 . 1 . . . . . . . . . 5468 1 894 . 1 1 165 165 HIS H H 1 7.963 0.03 . 1 . . . . . . . . . 5468 1 895 . 1 1 165 165 HIS HA H 1 4.54 0.03 . 1 . . . . . . . . . 5468 1 896 . 1 1 165 165 HIS C C 13 171.882 0.10 . 1 . . . . . . . . . 5468 1 897 . 1 1 165 165 HIS CA C 13 55.856 0.10 . 1 . . . . . . . . . 5468 1 898 . 1 1 165 165 HIS CB C 13 28.379 0.10 . 1 . . . . . . . . . 5468 1 899 . 1 1 165 165 HIS N N 15 115.057 0.15 . 1 . . . . . . . . . 5468 1 900 . 1 1 166 166 THR H H 1 6.845 0.03 . 1 . . . . . . . . . 5468 1 901 . 1 1 166 166 THR HA H 1 4.42 0.03 . 1 . . . . . . . . . 5468 1 902 . 1 1 166 166 THR C C 13 171.391 0.10 . 1 . . . . . . . . . 5468 1 903 . 1 1 166 166 THR CA C 13 60.088 0.10 . 1 . . . . . . . . . 5468 1 904 . 1 1 166 166 THR CB C 13 69.405 0.10 . 1 . . . . . . . . . 5468 1 905 . 1 1 166 166 THR N N 15 110.109 0.15 . 1 . . . . . . . . . 5468 1 906 . 1 1 167 167 ALA H H 1 8.474 0.03 . 1 . . . . . . . . . 5468 1 907 . 1 1 167 167 ALA HA H 1 4.28 0.03 . 1 . . . . . . . . . 5468 1 908 . 1 1 167 167 ALA C C 13 176.817 0.10 . 1 . . . . . . . . . 5468 1 909 . 1 1 167 167 ALA CA C 13 54.539 0.10 . 1 . . . . . . . . . 5468 1 910 . 1 1 167 167 ALA CB C 13 15.796 0.10 . 1 . . . . . . . . . 5468 1 911 . 1 1 167 167 ALA N N 15 132.378 0.15 . 1 . . . . . . . . . 5468 1 912 . 1 1 168 168 SER H H 1 7.428 0.03 . 1 . . . . . . . . . 5468 1 913 . 1 1 168 168 SER HA H 1 4.2 0.03 . 1 . . . . . . . . . 5468 1 914 . 1 1 168 168 SER C C 13 176.874 0.10 . 1 . . . . . . . . . 5468 1 915 . 1 1 168 168 SER CA C 13 59.303 0.10 . 1 . . . . . . . . . 5468 1 916 . 1 1 168 168 SER CB C 13 64.902 0.10 . 1 . . . . . . . . . 5468 1 917 . 1 1 168 168 SER N N 15 118.881 0.15 . 1 . . . . . . . . . 5468 1 918 . 1 1 169 169 ILE H H 1 8.516 0.03 . 1 . . . . . . . . . 5468 1 919 . 1 1 169 169 ILE HA H 1 3.7 0.03 . 1 . . . . . . . . . 5468 1 920 . 1 1 169 169 ILE C C 13 173.976 0.10 . 1 . . . . . . . . . 5468 1 921 . 1 1 169 169 ILE CA C 13 60.2 0.10 . 1 . . . . . . . . . 5468 1 922 . 1 1 169 169 ILE CB C 13 36.194 0.10 . 1 . . . . . . . . . 5468 1 923 . 1 1 169 169 ILE N N 15 120.861 0.15 . 1 . . . . . . . . . 5468 1 924 . 1 1 170 170 PHE H H 1 6.845 0.03 . 1 . . . . . . . . . 5468 1 925 . 1 1 170 170 PHE C C 13 174.903 0.10 . 1 . . . . . . . . . 5468 1 926 . 1 1 170 170 PHE CA C 13 57.033 0.10 . 1 . . . . . . . . . 5468 1 927 . 1 1 170 170 PHE CB C 13 39.665 0.10 . 1 . . . . . . . . . 5468 1 928 . 1 1 170 170 PHE N N 15 119.556 0.15 . 1 . . . . . . . . . 5468 1 929 . 1 1 171 171 PRO HA H 1 4.43 0.03 . 1 . . . . . . . . . 5468 1 930 . 1 1 171 171 PRO C C 13 178.279 0.10 . 1 . . . . . . . . . 5468 1 931 . 1 1 171 171 PRO CA C 13 64.114 0.10 . 1 . . . . . . . . . 5468 1 932 . 1 1 171 171 PRO CB C 13 30.825 0.10 . 1 . . . . . . . . . 5468 1 933 . 1 1 172 172 GLY H H 1 9.52 0.03 . 1 . . . . . . . . . 5468 1 934 . 1 1 172 172 GLY C C 13 174.303 0.10 . 1 . . . . . . . . . 5468 1 935 . 1 1 172 172 GLY CA C 13 45.942 0.10 . 1 . . . . . . . . . 5468 1 936 . 1 1 172 172 GLY N N 15 114.474 0.15 . 1 . . . . . . . . . 5468 1 937 . 1 1 173 173 SER H H 1 7.93 0.03 . 1 . . . . . . . . . 5468 1 938 . 1 1 173 173 SER HA H 1 4.82 0.03 . 1 . . . . . . . . . 5468 1 939 . 1 1 173 173 SER C C 13 175.834 0.10 . 1 . . . . . . . . . 5468 1 940 . 1 1 173 173 SER CA C 13 58.171 0.10 . 1 . . . . . . . . . 5468 1 941 . 1 1 173 173 SER CB C 13 66.796 0.10 . 1 . . . . . . . . . 5468 1 942 . 1 1 173 173 SER N N 15 113.24 0.15 . 1 . . . . . . . . . 5468 1 943 . 1 1 174 174 GLN H H 1 9.606 0.03 . 1 . . . . . . . . . 5468 1 944 . 1 1 174 174 GLN C C 13 178.969 0.10 . 1 . . . . . . . . . 5468 1 945 . 1 1 174 174 GLN CA C 13 59.091 0.10 . 1 . . . . . . . . . 5468 1 946 . 1 1 174 174 GLN CB C 13 27.351 0.10 . 1 . . . . . . . . . 5468 1 947 . 1 1 174 174 GLN N N 15 122.48 0.15 . 1 . . . . . . . . . 5468 1 948 . 1 1 175 175 ALA H H 1 7.904 0.03 . 1 . . . . . . . . . 5468 1 949 . 1 1 175 175 ALA HA H 1 4.04 0.03 . 1 . . . . . . . . . 5468 1 950 . 1 1 175 175 ALA C C 13 178.557 0.10 . 1 . . . . . . . . . 5468 1 951 . 1 1 175 175 ALA CA C 13 55.295 0.10 . 1 . . . . . . . . . 5468 1 952 . 1 1 175 175 ALA CB C 13 19.335 0.10 . 1 . . . . . . . . . 5468 1 953 . 1 1 175 175 ALA N N 15 116.279 0.15 . 1 . . . . . . . . . 5468 1 954 . 1 1 176 176 GLU H H 1 7.532 0.03 . 1 . . . . . . . . . 5468 1 955 . 1 1 176 176 GLU HA H 1 3.34 0.03 . 1 . . . . . . . . . 5468 1 956 . 1 1 176 176 GLU C C 13 175.891 0.10 . 1 . . . . . . . . . 5468 1 957 . 1 1 176 176 GLU CA C 13 58.92 0.10 . 1 . . . . . . . . . 5468 1 958 . 1 1 176 176 GLU CB C 13 29.223 0.10 . 1 . . . . . . . . . 5468 1 959 . 1 1 176 176 GLU N N 15 114.474 0.15 . 1 . . . . . . . . . 5468 1 960 . 1 1 177 177 LYS H H 1 7.309 0.03 . 1 . . . . . . . . . 5468 1 961 . 1 1 177 177 LYS HA H 1 4.29 0.03 . 1 . . . . . . . . . 5468 1 962 . 1 1 177 177 LYS C C 13 178.254 0.10 . 1 . . . . . . . . . 5468 1 963 . 1 1 177 177 LYS CA C 13 55.884 0.10 . 1 . . . . . . . . . 5468 1 964 . 1 1 177 177 LYS CB C 13 32.5 0.10 . 1 . . . . . . . . . 5468 1 965 . 1 1 177 177 LYS N N 15 111.638 0.15 . 1 . . . . . . . . . 5468 1 966 . 1 1 178 178 GLU H H 1 7.536 0.03 . 1 . . . . . . . . . 5468 1 967 . 1 1 178 178 GLU C C 13 176.345 0.10 . 1 . . . . . . . . . 5468 1 968 . 1 1 178 178 GLU CA C 13 54.707 0.10 . 1 . . . . . . . . . 5468 1 969 . 1 1 178 178 GLU CB C 13 26.696 0.10 . 1 . . . . . . . . . 5468 1 970 . 1 1 178 178 GLU N N 15 119.781 0.15 . 1 . . . . . . . . . 5468 1 971 . 1 1 179 179 THR H H 1 8.059 0.03 . 1 . . . . . . . . . 5468 1 972 . 1 1 179 179 THR HA H 1 4.51 0.03 . 1 . . . . . . . . . 5468 1 973 . 1 1 179 179 THR C C 13 175.38 0.10 . 1 . . . . . . . . . 5468 1 974 . 1 1 179 179 THR CA C 13 61.957 0.10 . 1 . . . . . . . . . 5468 1 975 . 1 1 179 179 THR CB C 13 69.605 0.10 . 1 . . . . . . . . . 5468 1 976 . 1 1 179 179 THR N N 15 108.544 0.15 . 1 . . . . . . . . . 5468 1 977 . 1 1 180 180 ASP H H 1 8.118 0.03 . 1 . . . . . . . . . 5468 1 978 . 1 1 180 180 ASP HA H 1 4.5 0.03 . 1 . . . . . . . . . 5468 1 979 . 1 1 180 180 ASP C C 13 176.477 0.10 . 1 . . . . . . . . . 5468 1 980 . 1 1 180 180 ASP CA C 13 54.511 0.10 . 1 . . . . . . . . . 5468 1 981 . 1 1 180 180 ASP CB C 13 41.347 0.10 . 1 . . . . . . . . . 5468 1 982 . 1 1 180 180 ASP N N 15 120.006 0.15 . 1 . . . . . . . . . 5468 1 983 . 1 1 181 181 GLY H H 1 7.974 0.03 . 1 . . . . . . . . . 5468 1 984 . 1 1 181 181 GLY C C 13 172.733 0.10 . 1 . . . . . . . . . 5468 1 985 . 1 1 181 181 GLY CA C 13 45.099 0.10 . 1 . . . . . . . . . 5468 1 986 . 1 1 181 181 GLY N N 15 105.966 0.15 . 1 . . . . . . . . . 5468 1 987 . 1 1 182 182 LYS H H 1 7.976 0.03 . 1 . . . . . . . . . 5468 1 988 . 1 1 182 182 LYS HA H 1 3.8 0.03 . 1 . . . . . . . . . 5468 1 989 . 1 1 182 182 LYS C C 13 176.571 0.10 . 1 . . . . . . . . . 5468 1 990 . 1 1 182 182 LYS CA C 13 59.601 0.10 . 1 . . . . . . . . . 5468 1 991 . 1 1 182 182 LYS CB C 13 32.104 0.10 . 1 . . . . . . . . . 5468 1 992 . 1 1 182 182 LYS N N 15 117.51 0.15 . 1 . . . . . . . . . 5468 1 993 . 1 1 183 183 VAL H H 1 7.998 0.03 . 1 . . . . . . . . . 5468 1 994 . 1 1 183 183 VAL C C 13 176.553 0.10 . 1 . . . . . . . . . 5468 1 995 . 1 1 183 183 VAL CA C 13 61.813 0.10 . 1 . . . . . . . . . 5468 1 996 . 1 1 183 183 VAL CB C 13 33.869 0.10 . 1 . . . . . . . . . 5468 1 997 . 1 1 183 183 VAL N N 15 115.247 0.15 . 1 . . . . . . . . . 5468 1 998 . 1 1 184 184 VAL H H 1 8.901 0.03 . 1 . . . . . . . . . 5468 1 999 . 1 1 184 184 VAL HA H 1 3.77 0.03 . 1 . . . . . . . . . 5468 1 1000 . 1 1 184 184 VAL C C 13 176.042 0.10 . 1 . . . . . . . . . 5468 1 1001 . 1 1 184 184 VAL CA C 13 64.573 0.10 . 1 . . . . . . . . . 5468 1 1002 . 1 1 184 184 VAL CB C 13 33.141 0.10 . 1 . . . . . . . . . 5468 1 1003 . 1 1 184 184 VAL N N 15 128.654 0.15 . 1 . . . . . . . . . 5468 1 1004 . 1 1 185 185 VAL H H 1 7.955 0.03 . 1 . . . . . . . . . 5468 1 1005 . 1 1 185 185 VAL HA H 1 4.68 0.03 . 1 . . . . . . . . . 5468 1 1006 . 1 1 185 185 VAL C C 13 173.868 0.10 . 1 . . . . . . . . . 5468 1 1007 . 1 1 185 185 VAL CA C 13 61.11 0.10 . 1 . . . . . . . . . 5468 1 1008 . 1 1 185 185 VAL CB C 13 33.249 0.10 . 1 . . . . . . . . . 5468 1 1009 . 1 1 185 185 VAL N N 15 120.006 0.15 . 1 . . . . . . . . . 5468 1 1010 . 1 1 186 186 SER H H 1 9.514 0.03 . 1 . . . . . . . . . 5468 1 1011 . 1 1 186 186 SER HA H 1 4.75 0.03 . 1 . . . . . . . . . 5468 1 1012 . 1 1 186 186 SER C C 13 173.735 0.10 . 1 . . . . . . . . . 5468 1 1013 . 1 1 186 186 SER CA C 13 55.015 0.10 . 1 . . . . . . . . . 5468 1 1014 . 1 1 186 186 SER CB C 13 64.787 0.10 . 1 . . . . . . . . . 5468 1 1015 . 1 1 186 186 SER N N 15 119.781 0.15 . 1 . . . . . . . . . 5468 1 1016 . 1 1 187 187 VAL H H 1 8.977 0.03 . 1 . . . . . . . . . 5468 1 1017 . 1 1 187 187 VAL HA H 1 5.63 0.03 . 1 . . . . . . . . . 5468 1 1018 . 1 1 187 187 VAL C C 13 174.813 0.10 . 1 . . . . . . . . . 5468 1 1019 . 1 1 187 187 VAL CA C 13 58.939 0.10 . 1 . . . . . . . . . 5468 1 1020 . 1 1 187 187 VAL CB C 13 36.68 0.10 . 1 . . . . . . . . . 5468 1 1021 . 1 1 187 187 VAL N N 15 111.683 0.15 . 1 . . . . . . . . . 5468 1 1022 . 1 1 188 188 GLY H H 1 8.227 0.03 . 1 . . . . . . . . . 5468 1 1023 . 1 1 188 188 GLY HA2 H 1 3.86 0.03 . 2 . . . . . . . . . 5468 1 1024 . 1 1 188 188 GLY HA3 H 1 4.52 0.03 . 2 . . . . . . . . . 5468 1 1025 . 1 1 188 188 GLY C C 13 169.122 0.10 . 1 . . . . . . . . . 5468 1 1026 . 1 1 188 188 GLY CA C 13 46.162 0.10 . 1 . . . . . . . . . 5468 1 1027 . 1 1 188 188 GLY N N 15 102.236 0.15 . 1 . . . . . . . . . 5468 1 1028 . 1 1 189 189 PHE H H 1 8.043 0.03 . 1 . . . . . . . . . 5468 1 1029 . 1 1 189 189 PHE C C 13 171.845 0.10 . 1 . . . . . . . . . 5468 1 1030 . 1 1 189 189 PHE CA C 13 54.567 0.10 . 1 . . . . . . . . . 5468 1 1031 . 1 1 189 189 PHE CB C 13 41.545 0.10 . 1 . . . . . . . . . 5468 1 1032 . 1 1 189 189 PHE N N 15 122.208 0.15 . 1 . . . . . . . . . 5468 1 1033 . 1 1 192 192 GLU H H 1 8.328 0.03 . 1 . . . . . . . . . 5468 1 1034 . 1 1 192 192 GLU C C 13 170.053 0.10 . 1 . . . . . . . . . 5468 1 1035 . 1 1 192 192 GLU CA C 13 55.844 0.10 . 1 . . . . . . . . . 5468 1 1036 . 1 1 192 192 GLU CB C 13 32.688 0.10 . 1 . . . . . . . . . 5468 1 1037 . 1 1 192 192 GLU N N 15 120.214 0.15 . 1 . . . . . . . . . 5468 1 1038 . 1 1 193 193 THR H H 1 8.337 0.03 . 1 . . . . . . . . . 5468 1 1039 . 1 1 193 193 THR HA H 1 4.14 0.03 . 1 . . . . . . . . . 5468 1 1040 . 1 1 193 193 THR C C 13 173.43 0.10 . 1 . . . . . . . . . 5468 1 1041 . 1 1 193 193 THR CA C 13 58.463 0.10 . 1 . . . . . . . . . 5468 1 1042 . 1 1 193 193 THR CB C 13 64.305 0.10 . 1 . . . . . . . . . 5468 1 1043 . 1 1 193 193 THR N N 15 115.732 0.15 . 1 . . . . . . . . . 5468 1 1044 . 1 1 194 194 MET H H 1 8.312 0.03 . 1 . . . . . . . . . 5468 1 1045 . 1 1 194 194 MET HA H 1 4.82 0.03 . 1 . . . . . . . . . 5468 1 1046 . 1 1 194 194 MET C C 13 174.071 0.10 . 1 . . . . . . . . . 5468 1 1047 . 1 1 194 194 MET CA C 13 57.367 0.10 . 1 . . . . . . . . . 5468 1 1048 . 1 1 194 194 MET CB C 13 39.395 0.10 . 1 . . . . . . . . . 5468 1 1049 . 1 1 194 194 MET N N 15 123.38 0.15 . 1 . . . . . . . . . 5468 1 1050 . 1 1 195 195 LYS H H 1 8.768 0.03 . 1 . . . . . . . . . 5468 1 1051 . 1 1 195 195 LYS C C 13 172.501 0.10 . 1 . . . . . . . . . 5468 1 1052 . 1 1 195 195 LYS CA C 13 53.193 0.10 . 1 . . . . . . . . . 5468 1 1053 . 1 1 195 195 LYS CB C 13 32.384 0.10 . 1 . . . . . . . . . 5468 1 1054 . 1 1 195 195 LYS N N 15 127.654 0.15 . 1 . . . . . . . . . 5468 1 1055 . 1 1 196 196 PRO HA H 1 4.77 0.03 . 1 . . . . . . . . . 5468 1 1056 . 1 1 197 197 LYS H H 1 8.324 0.03 . 1 . . . . . . . . . 5468 1 1057 . 1 1 197 197 LYS HA H 1 3.6 0.03 . 1 . . . . . . . . . 5468 1 1058 . 1 1 197 197 LYS C C 13 173.215 0.10 . 1 . . . . . . . . . 5468 1 1059 . 1 1 197 197 LYS CA C 13 55.031 0.10 . 1 . . . . . . . . . 5468 1 1060 . 1 1 197 197 LYS CB C 13 29.148 0.10 . 1 . . . . . . . . . 5468 1 1061 . 1 1 197 197 LYS N N 15 119.331 0.15 . 1 . . . . . . . . . 5468 1 1062 . 1 1 198 198 VAL H H 1 7.028 0.03 . 1 . . . . . . . . . 5468 1 1063 . 1 1 198 198 VAL HA H 1 4.70 0.03 . 1 . . . . . . . . . 5468 1 1064 . 1 1 198 198 VAL C C 13 174.381 0.10 . 1 . . . . . . . . . 5468 1 1065 . 1 1 198 198 VAL CA C 13 58.378 0.10 . 1 . . . . . . . . . 5468 1 1066 . 1 1 198 198 VAL CB C 13 34.944 0.10 . 1 . . . . . . . . . 5468 1 1067 . 1 1 198 198 VAL N N 15 116.279 0.15 . 1 . . . . . . . . . 5468 1 1068 . 1 1 199 199 TRP H H 1 8.9 0.03 . 1 . . . . . . . . . 5468 1 1069 . 1 1 199 199 TRP HA H 1 4.3 0.03 . 1 . . . . . . . . . 5468 1 1070 . 1 1 199 199 TRP C C 13 174.492 0.10 . 1 . . . . . . . . . 5468 1 1071 . 1 1 199 199 TRP CA C 13 61.375 0.10 . 1 . . . . . . . . . 5468 1 1072 . 1 1 199 199 TRP CB C 13 30.925 0.10 . 1 . . . . . . . . . 5468 1 1073 . 1 1 199 199 TRP N N 15 121.131 0.15 . 1 . . . . . . . . . 5468 1 1074 . 1 1 200 200 ARG H H 1 8.829 0.03 . 1 . . . . . . . . . 5468 1 1075 . 1 1 200 200 ARG C C 13 176.122 0.10 . 1 . . . . . . . . . 5468 1 1076 . 1 1 200 200 ARG CA C 13 52.156 0.10 . 1 . . . . . . . . . 5468 1 1077 . 1 1 200 200 ARG CB C 13 33.208 0.10 . 1 . . . . . . . . . 5468 1 1078 . 1 1 200 200 ARG N N 15 115.282 0.15 . 1 . . . . . . . . . 5468 1 1079 . 1 1 201 201 VAL H H 1 8.173 0.03 . 1 . . . . . . . . . 5468 1 1080 . 1 1 201 201 VAL HA H 1 5.13 0.03 . 1 . . . . . . . . . 5468 1 1081 . 1 1 201 201 VAL C C 13 175.569 0.10 . 1 . . . . . . . . . 5468 1 1082 . 1 1 201 201 VAL CA C 13 58.855 0.10 . 1 . . . . . . . . . 5468 1 1083 . 1 1 201 201 VAL CB C 13 33.951 0.10 . 1 . . . . . . . . . 5468 1 1084 . 1 1 201 201 VAL N N 15 110.607 0.15 . 1 . . . . . . . . . 5468 1 1085 . 1 1 202 202 THR H H 1 8.451 0.03 . 1 . . . . . . . . . 5468 1 1086 . 1 1 202 202 THR C C 13 171.788 0.10 . 1 . . . . . . . . . 5468 1 1087 . 1 1 202 202 THR CA C 13 59.331 0.10 . 1 . . . . . . . . . 5468 1 1088 . 1 1 202 202 THR CB C 13 70.19 0.10 . 1 . . . . . . . . . 5468 1 1089 . 1 1 202 202 THR N N 15 113.958 0.15 . 1 . . . . . . . . . 5468 1 1090 . 1 1 203 203 LEU H H 1 9.202 0.03 . 1 . . . . . . . . . 5468 1 1091 . 1 1 203 203 LEU C C 13 176.628 0.10 . 1 . . . . . . . . . 5468 1 1092 . 1 1 203 203 LEU CA C 13 57.145 0.10 . 1 . . . . . . . . . 5468 1 1093 . 1 1 203 203 LEU CB C 13 41.932 0.10 . 1 . . . . . . . . . 5468 1 1094 . 1 1 203 203 LEU N N 15 127.365 0.15 . 1 . . . . . . . . . 5468 1 1095 . 1 1 204 204 SER H H 1 8.157 0.03 . 1 . . . . . . . . . 5468 1 1096 . 1 1 204 204 SER HA H 1 4.4 0.03 . 1 . . . . . . . . . 5468 1 1097 . 1 1 204 204 SER C C 13 172.582 0.10 . 1 . . . . . . . . . 5468 1 1098 . 1 1 204 204 SER CA C 13 56.108 0.10 . 1 . . . . . . . . . 5468 1 1099 . 1 1 204 204 SER CB C 13 63.617 0.10 . 1 . . . . . . . . . 5468 1 1100 . 1 1 204 204 SER N N 15 114.383 0.15 . 1 . . . . . . . . . 5468 1 1101 . 1 1 205 205 PRO HA H 1 3.4 0.03 . 1 . . . . . . . . . 5468 1 1102 . 1 1 205 205 PRO C C 13 177.709 0.10 . 1 . . . . . . . . . 5468 1 1103 . 1 1 205 205 PRO CA C 13 66.16 0.10 . 1 . . . . . . . . . 5468 1 1104 . 1 1 205 205 PRO CB C 13 30.949 0.10 . 1 . . . . . . . . . 5468 1 1105 . 1 1 206 206 ALA H H 1 7.411 0.03 . 1 . . . . . . . . . 5468 1 1106 . 1 1 206 206 ALA HA H 1 3.9 0.03 . 1 . . . . . . . . . 5468 1 1107 . 1 1 206 206 ALA C C 13 178.636 0.10 . 1 . . . . . . . . . 5468 1 1108 . 1 1 206 206 ALA CA C 13 55.27 0.10 . 1 . . . . . . . . . 5468 1 1109 . 1 1 206 206 ALA CB C 13 18.839 0.10 . 1 . . . . . . . . . 5468 1 1110 . 1 1 206 206 ALA N N 15 113.385 0.15 . 1 . . . . . . . . . 5468 1 1111 . 1 1 207 207 THR H H 1 7.587 0.03 . 1 . . . . . . . . . 5468 1 1112 . 1 1 207 207 THR HA H 1 4.22 0.03 . 1 . . . . . . . . . 5468 1 1113 . 1 1 207 207 THR C C 13 177.994 0.10 . 1 . . . . . . . . . 5468 1 1114 . 1 1 207 207 THR CA C 13 66.59 0.10 . 1 . . . . . . . . . 5468 1 1115 . 1 1 207 207 THR CB C 13 68.111 0.10 . 1 . . . . . . . . . 5468 1 1116 . 1 1 207 207 THR N N 15 114.158 0.15 . 1 . . . . . . . . . 5468 1 1117 . 1 1 208 208 ILE H H 1 7.861 0.03 . 1 . . . . . . . . . 5468 1 1118 . 1 1 208 208 ILE HA H 1 3.32 0.03 . 1 . . . . . . . . . 5468 1 1119 . 1 1 208 208 ILE C C 13 177.179 0.10 . 1 . . . . . . . . . 5468 1 1120 . 1 1 208 208 ILE CA C 13 66.93 0.10 . 1 . . . . . . . . . 5468 1 1121 . 1 1 208 208 ILE CB C 13 38.389 0.10 . 1 . . . . . . . . . 5468 1 1122 . 1 1 208 208 ILE N N 15 122.013 0.15 . 1 . . . . . . . . . 5468 1 1123 . 1 1 209 209 MET H H 1 8.446 0.03 . 1 . . . . . . . . . 5468 1 1124 . 1 1 209 209 MET HA H 1 4.44 0.03 . 1 . . . . . . . . . 5468 1 1125 . 1 1 209 209 MET C C 13 175.911 0.10 . 1 . . . . . . . . . 5468 1 1126 . 1 1 209 209 MET CA C 13 59.276 0.10 . 1 . . . . . . . . . 5468 1 1127 . 1 1 209 209 MET CB C 13 34.115 0.10 . 1 . . . . . . . . . 5468 1 1128 . 1 1 209 209 MET N N 15 113.127 0.15 . 1 . . . . . . . . . 5468 1 1129 . 1 1 210 210 GLN H H 1 7.197 0.03 . 1 . . . . . . . . . 5468 1 1130 . 1 1 210 210 GLN HA H 1 4.41 0.03 . 1 . . . . . . . . . 5468 1 1131 . 1 1 210 210 GLN C C 13 175.196 0.10 . 1 . . . . . . . . . 5468 1 1132 . 1 1 210 210 GLN CA C 13 53.623 0.10 . 1 . . . . . . . . . 5468 1 1133 . 1 1 210 210 GLN CB C 13 28.11 0.10 . 1 . . . . . . . . . 5468 1 1134 . 1 1 210 210 GLN N N 15 112.869 0.15 . 1 . . . . . . . . . 5468 1 1135 . 1 1 211 211 ALA H H 1 7.242 0.03 . 1 . . . . . . . . . 5468 1 1136 . 1 1 211 211 ALA HA H 1 4.51 0.03 . 1 . . . . . . . . . 5468 1 1137 . 1 1 211 211 ALA C C 13 179.052 0.10 . 1 . . . . . . . . . 5468 1 1138 . 1 1 211 211 ALA CA C 13 52.605 0.10 . 1 . . . . . . . . . 5468 1 1139 . 1 1 211 211 ALA CB C 13 20.251 0.10 . 1 . . . . . . . . . 5468 1 1140 . 1 1 211 211 ALA N N 15 119.83 0.15 . 1 . . . . . . . . . 5468 1 1141 . 1 1 212 212 ARG H H 1 8.897 0.03 . 1 . . . . . . . . . 5468 1 1142 . 1 1 212 212 ARG HA H 1 4.01 0.03 . 1 . . . . . . . . . 5468 1 1143 . 1 1 212 212 ARG C C 13 177.84 0.10 . 1 . . . . . . . . . 5468 1 1144 . 1 1 212 212 ARG CA C 13 59.437 0.10 . 1 . . . . . . . . . 5468 1 1145 . 1 1 212 212 ARG CB C 13 29.732 0.10 . 1 . . . . . . . . . 5468 1 1146 . 1 1 212 212 ARG N N 15 116.736 0.15 . 1 . . . . . . . . . 5468 1 1147 . 1 1 213 213 ASN H H 1 7.139 0.03 . 1 . . . . . . . . . 5468 1 1148 . 1 1 213 213 ASN HA H 1 4.537 0.03 . 1 . . . . . . . . . 5468 1 1149 . 1 1 213 213 ASN C C 13 172.62 0.10 . 1 . . . . . . . . . 5468 1 1150 . 1 1 213 213 ASN CA C 13 52.964 0.10 . 1 . . . . . . . . . 5468 1 1151 . 1 1 213 213 ASN CB C 13 42.687 0.10 . 1 . . . . . . . . . 5468 1 1152 . 1 1 213 213 ASN N N 15 113.033 0.15 . 1 . . . . . . . . . 5468 1 1153 . 1 1 214 214 VAL H H 1 9.159 0.03 . 1 . . . . . . . . . 5468 1 1154 . 1 1 214 214 VAL HA H 1 4.8 0.03 . 1 . . . . . . . . . 5468 1 1155 . 1 1 214 214 VAL C C 13 174.019 0.10 . 1 . . . . . . . . . 5468 1 1156 . 1 1 214 214 VAL CA C 13 61.426 0.10 . 1 . . . . . . . . . 5468 1 1157 . 1 1 214 214 VAL CB C 13 34.518 0.10 . 1 . . . . . . . . . 5468 1 1158 . 1 1 214 214 VAL N N 15 123.755 0.15 . 1 . . . . . . . . . 5468 1 1159 . 1 1 215 215 ILE H H 1 8.841 0.03 . 1 . . . . . . . . . 5468 1 1160 . 1 1 215 215 ILE HA H 1 4.51 0.03 . 1 . . . . . . . . . 5468 1 1161 . 1 1 215 215 ILE C C 13 173.074 0.10 . 1 . . . . . . . . . 5468 1 1162 . 1 1 215 215 ILE CA C 13 60.06 0.10 . 1 . . . . . . . . . 5468 1 1163 . 1 1 215 215 ILE CB C 13 39.688 0.10 . 1 . . . . . . . . . 5468 1 1164 . 1 1 215 215 ILE N N 15 127.307 0.15 . 1 . . . . . . . . . 5468 1 1165 . 1 1 216 216 VAL H H 1 8.86 0.03 . 1 . . . . . . . . . 5468 1 1166 . 1 1 216 216 VAL C C 13 174.359 0.10 . 1 . . . . . . . . . 5468 1 1167 . 1 1 216 216 VAL CA C 13 60.162 0.10 . 1 . . . . . . . . . 5468 1 1168 . 1 1 216 216 VAL CB C 13 32.197 0.10 . 1 . . . . . . . . . 5468 1 1169 . 1 1 216 216 VAL N N 15 126.529 0.15 . 1 . . . . . . . . . 5468 1 1170 . 1 1 217 217 LEU H H 1 8.785 0.03 . 1 . . . . . . . . . 5468 1 1171 . 1 1 217 217 LEU HA H 1 5.24 0.03 . 1 . . . . . . . . . 5468 1 1172 . 1 1 217 217 LEU C C 13 176.099 0.10 . 1 . . . . . . . . . 5468 1 1173 . 1 1 217 217 LEU CA C 13 53.754 0.10 . 1 . . . . . . . . . 5468 1 1174 . 1 1 217 217 LEU CB C 13 43.092 0.10 . 1 . . . . . . . . . 5468 1 1175 . 1 1 217 217 LEU N N 15 125.302 0.15 . 1 . . . . . . . . . 5468 1 1176 . 1 1 218 218 ALA H H 1 8.53 0.03 . 1 . . . . . . . . . 5468 1 1177 . 1 1 218 218 ALA HA H 1 4.68 0.03 . 1 . . . . . . . . . 5468 1 1178 . 1 1 218 218 ALA C C 13 172.979 0.10 . 1 . . . . . . . . . 5468 1 1179 . 1 1 218 218 ALA CA C 13 52.543 0.10 . 1 . . . . . . . . . 5468 1 1180 . 1 1 218 218 ALA CB C 13 21.946 0.10 . 1 . . . . . . . . . 5468 1 1181 . 1 1 218 218 ALA N N 15 121.95 0.15 . 1 . . . . . . . . . 5468 1 1182 . 1 1 219 219 THR H H 1 8.006 0.03 . 1 . . . . . . . . . 5468 1 1183 . 1 1 219 219 THR HA H 1 4.7 0.03 . 1 . . . . . . . . . 5468 1 1184 . 1 1 219 219 THR C C 13 173.887 0.10 . 1 . . . . . . . . . 5468 1 1185 . 1 1 219 219 THR CA C 13 59.163 0.10 . 1 . . . . . . . . . 5468 1 1186 . 1 1 219 219 THR CB C 13 71.812 0.10 . 1 . . . . . . . . . 5468 1 1187 . 1 1 219 219 THR N N 15 108.544 0.15 . 1 . . . . . . . . . 5468 1 1188 . 1 1 220 220 GLY H H 1 8.751 0.03 . 1 . . . . . . . . . 5468 1 1189 . 1 1 220 220 GLY C C 13 174.548 0.10 . 1 . . . . . . . . . 5468 1 1190 . 1 1 220 220 GLY CA C 13 45.122 0.10 . 1 . . . . . . . . . 5468 1 1191 . 1 1 220 220 GLY N N 15 108.984 0.15 . 1 . . . . . . . . . 5468 1 1192 . 1 1 221 221 ALA H H 1 8.961 0.03 . 1 . . . . . . . . . 5468 1 1193 . 1 1 221 221 ALA HA H 1 3.76 0.03 . 1 . . . . . . . . . 5468 1 1194 . 1 1 221 221 ALA C C 13 180.069 0.10 . 1 . . . . . . . . . 5468 1 1195 . 1 1 221 221 ALA CA C 13 55.211 0.10 . 1 . . . . . . . . . 5468 1 1196 . 1 1 221 221 ALA CB C 13 18.532 0.10 . 1 . . . . . . . . . 5468 1 1197 . 1 1 221 221 ALA N N 15 126.304 0.15 . 1 . . . . . . . . . 5468 1 1198 . 1 1 222 222 GLU H H 1 9.852 0.03 . 1 . . . . . . . . . 5468 1 1199 . 1 1 222 222 GLU HA H 1 4.49 0.03 . 1 . . . . . . . . . 5468 1 1200 . 1 1 222 222 GLU C C 13 176.462 0.10 . 1 . . . . . . . . . 5468 1 1201 . 1 1 222 222 GLU CA C 13 58.285 0.10 . 1 . . . . . . . . . 5468 1 1202 . 1 1 222 222 GLU CB C 13 27.622 0.10 . 1 . . . . . . . . . 5468 1 1203 . 1 1 222 222 GLU N N 15 117.082 0.15 . 1 . . . . . . . . . 5468 1 1204 . 1 1 223 223 LYS H H 1 7.78 0.03 . 1 . . . . . . . . . 5468 1 1205 . 1 1 223 223 LYS HA H 1 4.73 0.03 . 1 . . . . . . . . . 5468 1 1206 . 1 1 223 223 LYS C C 13 176.694 0.10 . 1 . . . . . . . . . 5468 1 1207 . 1 1 223 223 LYS CA C 13 55.688 0.10 . 1 . . . . . . . . . 5468 1 1208 . 1 1 223 223 LYS CB C 13 32.812 0.10 . 1 . . . . . . . . . 5468 1 1209 . 1 1 223 223 LYS N N 15 115.507 0.15 . 1 . . . . . . . . . 5468 1 1210 . 1 1 224 224 LYS H H 1 7.807 0.03 . 1 . . . . . . . . . 5468 1 1211 . 1 1 224 224 LYS HA H 1 3.91 0.03 . 1 . . . . . . . . . 5468 1 1212 . 1 1 224 224 LYS C C 13 178.126 0.10 . 1 . . . . . . . . . 5468 1 1213 . 1 1 224 224 LYS CA C 13 60.845 0.10 . 1 . . . . . . . . . 5468 1 1214 . 1 1 224 224 LYS CB C 13 32.004 0.10 . 1 . . . . . . . . . 5468 1 1215 . 1 1 224 224 LYS N N 15 123.697 0.15 . 1 . . . . . . . . . 5468 1 1216 . 1 1 225 225 TRP H H 1 8.74 0.03 . 1 . . . . . . . . . 5468 1 1217 . 1 1 225 225 TRP HA H 1 4.45 0.03 . 1 . . . . . . . . . 5468 1 1218 . 1 1 225 225 TRP C C 13 177.928 0.10 . 1 . . . . . . . . . 5468 1 1219 . 1 1 225 225 TRP CA C 13 59.079 0.10 . 1 . . . . . . . . . 5468 1 1220 . 1 1 225 225 TRP CB C 13 26.323 0.10 . 1 . . . . . . . . . 5468 1 1221 . 1 1 225 225 TRP N N 15 114.383 0.15 . 1 . . . . . . . . . 5468 1 1222 . 1 1 226 226 VAL H H 1 6.514 0.03 . 1 . . . . . . . . . 5468 1 1223 . 1 1 226 226 VAL C C 13 176.732 0.10 . 1 . . . . . . . . . 5468 1 1224 . 1 1 226 226 VAL CA C 13 65.219 0.10 . 1 . . . . . . . . . 5468 1 1225 . 1 1 226 226 VAL CB C 13 30.219 0.10 . 1 . . . . . . . . . 5468 1 1226 . 1 1 226 226 VAL N N 15 122.031 0.15 . 1 . . . . . . . . . 5468 1 1227 . 1 1 227 227 VAL H H 1 6.787 0.03 . 1 . . . . . . . . . 5468 1 1228 . 1 1 227 227 VAL HA H 1 3.16 0.03 . 1 . . . . . . . . . 5468 1 1229 . 1 1 227 227 VAL C C 13 178.215 0.10 . 1 . . . . . . . . . 5468 1 1230 . 1 1 227 227 VAL CA C 13 66.909 0.10 . 1 . . . . . . . . . 5468 1 1231 . 1 1 227 227 VAL CB C 13 31.085 0.10 . 1 . . . . . . . . . 5468 1 1232 . 1 1 227 227 VAL N N 15 116.407 0.15 . 1 . . . . . . . . . 5468 1 1233 . 1 1 228 228 ASP H H 1 8.598 0.03 . 1 . . . . . . . . . 5468 1 1234 . 1 1 228 228 ASP HA H 1 4.18 0.03 . 1 . . . . . . . . . 5468 1 1235 . 1 1 228 228 ASP C C 13 178.481 0.10 . 1 . . . . . . . . . 5468 1 1236 . 1 1 228 228 ASP CA C 13 57.775 0.10 . 1 . . . . . . . . . 5468 1 1237 . 1 1 228 228 ASP CB C 13 40.337 0.10 . 1 . . . . . . . . . 5468 1 1238 . 1 1 228 228 ASP N N 15 119.315 0.15 . 1 . . . . . . . . . 5468 1 1239 . 1 1 229 229 GLY H H 1 7.791 0.03 . 1 . . . . . . . . . 5468 1 1240 . 1 1 229 229 GLY HA2 H 1 3.92 0.03 . 2 . . . . . . . . . 5468 1 1241 . 1 1 229 229 GLY HA3 H 1 4.11 0.03 . 2 . . . . . . . . . 5468 1 1242 . 1 1 229 229 GLY C C 13 174.756 0.10 . 1 . . . . . . . . . 5468 1 1243 . 1 1 229 229 GLY CA C 13 46.103 0.10 . 1 . . . . . . . . . 5468 1 1244 . 1 1 229 229 GLY N N 15 103.346 0.15 . 1 . . . . . . . . . 5468 1 1245 . 1 1 230 230 ILE H H 1 7.777 0.03 . 1 . . . . . . . . . 5468 1 1246 . 1 1 230 230 ILE HA H 1 3.68 0.03 . 1 . . . . . . . . . 5468 1 1247 . 1 1 230 230 ILE C C 13 175.966 0.10 . 1 . . . . . . . . . 5468 1 1248 . 1 1 230 230 ILE CA C 13 64.993 0.10 . 1 . . . . . . . . . 5468 1 1249 . 1 1 230 230 ILE CB C 13 38.944 0.10 . 1 . . . . . . . . . 5468 1 1250 . 1 1 230 230 ILE N N 15 120.681 0.15 . 1 . . . . . . . . . 5468 1 1251 . 1 1 231 231 LEU H H 1 7.609 0.03 . 1 . . . . . . . . . 5468 1 1252 . 1 1 231 231 LEU HA H 1 3.92 0.03 . 1 . . . . . . . . . 5468 1 1253 . 1 1 231 231 LEU C C 13 178.16 0.10 . 1 . . . . . . . . . 5468 1 1254 . 1 1 231 231 LEU CA C 13 56.781 0.10 . 1 . . . . . . . . . 5468 1 1255 . 1 1 231 231 LEU CB C 13 41.582 0.10 . 1 . . . . . . . . . 5468 1 1256 . 1 1 231 231 LEU N N 15 115.282 0.15 . 1 . . . . . . . . . 5468 1 1257 . 1 1 232 232 ALA H H 1 7.902 0.03 . 1 . . . . . . . . . 5468 1 1258 . 1 1 232 232 ALA HA H 1 4.20 0.03 . 1 . . . . . . . . . 5468 1 1259 . 1 1 232 232 ALA C C 13 178.065 0.10 . 1 . . . . . . . . . 5468 1 1260 . 1 1 232 232 ALA CA C 13 52.773 0.10 . 1 . . . . . . . . . 5468 1 1261 . 1 1 232 232 ALA CB C 13 19.506 0.10 . 1 . . . . . . . . . 5468 1 1262 . 1 1 232 232 ALA N N 15 119.63 0.15 . 1 . . . . . . . . . 5468 1 1263 . 1 1 233 233 ASP H H 1 8.842 0.03 . 1 . . . . . . . . . 5468 1 1264 . 1 1 233 233 ASP HA H 1 4.28 0.03 . 1 . . . . . . . . . 5468 1 1265 . 1 1 233 233 ASP C C 13 176.877 0.10 . 1 . . . . . . . . . 5468 1 1266 . 1 1 233 233 ASP CA C 13 57.81 0.10 . 1 . . . . . . . . . 5468 1 1267 . 1 1 233 233 ASP CB C 13 40.824 0.10 . 1 . . . . . . . . . 5468 1 1268 . 1 1 233 233 ASP N N 15 121.356 0.15 . 1 . . . . . . . . . 5468 1 1269 . 1 1 234 234 THR H H 1 7.759 0.03 . 1 . . . . . . . . . 5468 1 1270 . 1 1 234 234 THR HA H 1 4.24 0.03 . 1 . . . . . . . . . 5468 1 1271 . 1 1 234 234 THR C C 13 172.597 0.10 . 1 . . . . . . . . . 5468 1 1272 . 1 1 234 234 THR CA C 13 60.957 0.10 . 1 . . . . . . . . . 5468 1 1273 . 1 1 234 234 THR CB C 13 70.75 0.10 . 1 . . . . . . . . . 5468 1 1274 . 1 1 234 234 THR N N 15 110.54 0.15 . 1 . . . . . . . . . 5468 1 1275 . 1 1 235 235 ALA H H 1 8.509 0.03 . 1 . . . . . . . . . 5468 1 1276 . 1 1 235 235 ALA HA H 1 4.55 0.03 . 1 . . . . . . . . . 5468 1 1277 . 1 1 235 235 ALA C C 13 176.472 0.10 . 1 . . . . . . . . . 5468 1 1278 . 1 1 235 235 ALA CA C 13 51.277 0.10 . 1 . . . . . . . . . 5468 1 1279 . 1 1 235 235 ALA CB C 13 19.668 0.10 . 1 . . . . . . . . . 5468 1 1280 . 1 1 235 235 ALA N N 15 125.405 0.15 . 1 . . . . . . . . . 5468 1 1281 . 1 1 237 237 LYS HA H 1 4.25 0.03 . 1 . . . . . . . . . 5468 1 1282 . 1 1 237 237 LYS C C 13 173.0 0.10 . 1 . . . . . . . . . 5468 1 1283 . 1 1 237 237 LYS CA C 13 55.792 0.10 . 1 . . . . . . . . . 5468 1 1284 . 1 1 237 237 LYS CB C 13 31.632 0.10 . 1 . . . . . . . . . 5468 1 1285 . 1 1 238 238 ALA H H 1 8.583 0.03 . 1 . . . . . . . . . 5468 1 1286 . 1 1 238 238 ALA C C 13 176.092 0.10 . 1 . . . . . . . . . 5468 1 1287 . 1 1 238 238 ALA CA C 13 49.859 0.10 . 1 . . . . . . . . . 5468 1 1288 . 1 1 238 238 ALA CB C 13 19.289 0.10 . 1 . . . . . . . . . 5468 1 1289 . 1 1 238 238 ALA N N 15 125.405 0.15 . 1 . . . . . . . . . 5468 1 1290 . 1 1 239 239 PRO HA H 1 5.28 0.03 . 1 . . . . . . . . . 5468 1 1291 . 1 1 239 239 PRO C C 13 178.424 0.10 . 1 . . . . . . . . . 5468 1 1292 . 1 1 239 239 PRO CA C 13 61.195 0.10 . 1 . . . . . . . . . 5468 1 1293 . 1 1 239 239 PRO CB C 13 32.626 0.10 . 1 . . . . . . . . . 5468 1 1294 . 1 1 240 240 VAL H H 1 9.594 0.03 . 1 . . . . . . . . . 5468 1 1295 . 1 1 240 240 VAL HA H 1 4.22 0.03 . 1 . . . . . . . . . 5468 1 1296 . 1 1 240 240 VAL C C 13 178.557 0.10 . 1 . . . . . . . . . 5468 1 1297 . 1 1 240 240 VAL CA C 13 65.897 0.10 . 1 . . . . . . . . . 5468 1 1298 . 1 1 240 240 VAL CB C 13 31.617 0.10 . 1 . . . . . . . . . 5468 1 1299 . 1 1 240 240 VAL N N 15 124.055 0.15 . 1 . . . . . . . . . 5468 1 1300 . 1 1 241 241 ALA H H 1 7.489 0.03 . 1 . . . . . . . . . 5468 1 1301 . 1 1 241 241 ALA HA H 1 3.68 0.03 . 1 . . . . . . . . . 5468 1 1302 . 1 1 241 241 ALA C C 13 175.059 0.10 . 1 . . . . . . . . . 5468 1 1303 . 1 1 241 241 ALA CA C 13 53.642 0.10 . 1 . . . . . . . . . 5468 1 1304 . 1 1 241 241 ALA CB C 13 18.261 0.10 . 1 . . . . . . . . . 5468 1 1305 . 1 1 241 241 ALA N N 15 113.7 0.15 . 1 . . . . . . . . . 5468 1 1306 . 1 1 242 242 ARG H H 1 7.851 0.03 . 1 . . . . . . . . . 5468 1 1307 . 1 1 242 242 ARG C C 13 176.042 0.10 . 1 . . . . . . . . . 5468 1 1308 . 1 1 242 242 ARG CA C 13 59.249 0.10 . 1 . . . . . . . . . 5468 1 1309 . 1 1 242 242 ARG CB C 13 29.397 0.10 . 1 . . . . . . . . . 5468 1 1310 . 1 1 242 242 ARG N N 15 119.115 0.15 . 1 . . . . . . . . . 5468 1 1311 . 1 1 243 243 PHE H H 1 7.743 0.03 . 1 . . . . . . . . . 5468 1 1312 . 1 1 243 243 PHE HA H 1 4.5 0.03 . 1 . . . . . . . . . 5468 1 1313 . 1 1 243 243 PHE C C 13 176.212 0.10 . 1 . . . . . . . . . 5468 1 1314 . 1 1 243 243 PHE CA C 13 60.032 0.10 . 1 . . . . . . . . . 5468 1 1315 . 1 1 243 243 PHE CB C 13 36.301 0.10 . 1 . . . . . . . . . 5468 1 1316 . 1 1 243 243 PHE N N 15 116.16 0.15 . 1 . . . . . . . . . 5468 1 1317 . 1 1 244 244 LEU H H 1 7.149 0.03 . 1 . . . . . . . . . 5468 1 1318 . 1 1 244 244 LEU HA H 1 3.7 0.03 . 1 . . . . . . . . . 5468 1 1319 . 1 1 244 244 LEU C C 13 177.101 0.10 . 1 . . . . . . . . . 5468 1 1320 . 1 1 244 244 LEU CA C 13 56.164 0.10 . 1 . . . . . . . . . 5468 1 1321 . 1 1 244 244 LEU CB C 13 41.61 0.10 . 1 . . . . . . . . . 5468 1 1322 . 1 1 244 244 LEU N N 15 120.603 0.15 . 1 . . . . . . . . . 5468 1 1323 . 1 1 245 245 ARG H H 1 7.455 0.03 . 1 . . . . . . . . . 5468 1 1324 . 1 1 245 245 ARG HA H 1 4.01 0.03 . 1 . . . . . . . . . 5468 1 1325 . 1 1 245 245 ARG C C 13 177.271 0.10 . 1 . . . . . . . . . 5468 1 1326 . 1 1 245 245 ARG CA C 13 58.242 0.10 . 1 . . . . . . . . . 5468 1 1327 . 1 1 245 245 ARG CB C 13 30.273 0.10 . 1 . . . . . . . . . 5468 1 1328 . 1 1 245 245 ARG N N 15 114.99 0.15 . 1 . . . . . . . . . 5468 1 1329 . 1 1 246 246 GLY H H 1 8.149 0.03 . 1 . . . . . . . . . 5468 1 1330 . 1 1 246 246 GLY HA2 H 1 4.13 0.03 . 2 . . . . . . . . . 5468 1 1331 . 1 1 246 246 GLY HA3 H 1 4.28 0.03 . 2 . . . . . . . . . 5468 1 1332 . 1 1 246 246 GLY C C 13 174.548 0.10 . 1 . . . . . . . . . 5468 1 1333 . 1 1 246 246 GLY CA C 13 44.676 0.10 . 1 . . . . . . . . . 5468 1 1334 . 1 1 246 246 GLY N N 15 103.13 0.15 . 1 . . . . . . . . . 5468 1 1335 . 1 1 247 247 CYS H H 1 7.502 0.03 . 1 . . . . . . . . . 5468 1 1336 . 1 1 247 247 CYS HA H 1 4.23 0.03 . 1 . . . . . . . . . 5468 1 1337 . 1 1 247 247 CYS C C 13 175.91 0.10 . 1 . . . . . . . . . 5468 1 1338 . 1 1 247 247 CYS CA C 13 62.891 0.10 . 1 . . . . . . . . . 5468 1 1339 . 1 1 247 247 CYS CB C 13 27.838 0.10 . 1 . . . . . . . . . 5468 1 1340 . 1 1 247 247 CYS N N 15 117.307 0.15 . 1 . . . . . . . . . 5468 1 1341 . 1 1 248 248 GLU H H 1 9.046 0.03 . 1 . . . . . . . . . 5468 1 1342 . 1 1 248 248 GLU HA H 1 4.37 0.03 . 1 . . . . . . . . . 5468 1 1343 . 1 1 248 248 GLU C C 13 178.008 0.10 . 1 . . . . . . . . . 5468 1 1344 . 1 1 248 248 GLU CA C 13 57.089 0.10 . 1 . . . . . . . . . 5468 1 1345 . 1 1 248 248 GLU CB C 13 30.134 0.10 . 1 . . . . . . . . . 5468 1 1346 . 1 1 248 248 GLU N N 15 121.806 0.15 . 1 . . . . . . . . . 5468 1 1347 . 1 1 249 249 GLY H H 1 8.203 0.03 . 1 . . . . . . . . . 5468 1 1348 . 1 1 249 249 GLY HA2 H 1 4.36 0.03 . 1 . . . . . . . . . 5468 1 1349 . 1 1 249 249 GLY HA3 H 1 4.36 0.03 . 1 . . . . . . . . . 5468 1 1350 . 1 1 249 249 GLY C C 13 172.544 0.10 . 1 . . . . . . . . . 5468 1 1351 . 1 1 249 249 GLY CA C 13 43.739 0.10 . 1 . . . . . . . . . 5468 1 1352 . 1 1 249 249 GLY N N 15 106.997 0.15 . 1 . . . . . . . . . 5468 1 1353 . 1 1 250 250 ASN H H 1 7.836 0.03 . 1 . . . . . . . . . 5468 1 1354 . 1 1 250 250 ASN HA H 1 4.70 0.03 . 1 . . . . . . . . . 5468 1 1355 . 1 1 250 250 ASN C C 13 175.172 0.10 . 1 . . . . . . . . . 5468 1 1356 . 1 1 250 250 ASN CA C 13 53.494 0.10 . 1 . . . . . . . . . 5468 1 1357 . 1 1 250 250 ASN CB C 13 39.285 0.10 . 1 . . . . . . . . . 5468 1 1358 . 1 1 250 250 ASN N N 15 115.505 0.15 . 1 . . . . . . . . . 5468 1 1359 . 1 1 251 251 VAL H H 1 9.104 0.03 . 1 . . . . . . . . . 5468 1 1360 . 1 1 251 251 VAL HA H 1 4.93 0.03 . 1 . . . . . . . . . 5468 1 1361 . 1 1 251 251 VAL C C 13 175.324 0.10 . 1 . . . . . . . . . 5468 1 1362 . 1 1 251 251 VAL CA C 13 61.77 0.10 . 1 . . . . . . . . . 5468 1 1363 . 1 1 251 251 VAL CB C 13 32.842 0.10 . 1 . . . . . . . . . 5468 1 1364 . 1 1 251 251 VAL N N 15 126.979 0.15 . 1 . . . . . . . . . 5468 1 1365 . 1 1 252 252 SER H H 1 8.827 0.03 . 1 . . . . . . . . . 5468 1 1366 . 1 1 252 252 SER HA H 1 5.51 0.03 . 1 . . . . . . . . . 5468 1 1367 . 1 1 252 252 SER C C 13 172.015 0.10 . 1 . . . . . . . . . 5468 1 1368 . 1 1 252 252 SER CA C 13 57.341 0.10 . 1 . . . . . . . . . 5468 1 1369 . 1 1 252 252 SER CB C 13 65.551 0.10 . 1 . . . . . . . . . 5468 1 1370 . 1 1 252 252 SER N N 15 121.95 0.15 . 1 . . . . . . . . . 5468 1 1371 . 1 1 253 253 PHE H H 1 9.224 0.03 . 1 . . . . . . . . . 5468 1 1372 . 1 1 253 253 PHE HA H 1 5.05 0.03 . 1 . . . . . . . . . 5468 1 1373 . 1 1 253 253 PHE C C 13 173.225 0.10 . 1 . . . . . . . . . 5468 1 1374 . 1 1 253 253 PHE CA C 13 56.239 0.10 . 1 . . . . . . . . . 5468 1 1375 . 1 1 253 253 PHE CB C 13 40.804 0.10 . 1 . . . . . . . . . 5468 1 1376 . 1 1 253 253 PHE N N 15 120.661 0.15 . 1 . . . . . . . . . 5468 1 1377 . 1 1 254 254 LEU H H 1 9.458 0.03 . 1 . . . . . . . . . 5468 1 1378 . 1 1 254 254 LEU HA H 1 5.1 0.03 . 1 . . . . . . . . . 5468 1 1379 . 1 1 254 254 LEU C C 13 173.433 0.10 . 1 . . . . . . . . . 5468 1 1380 . 1 1 254 254 LEU CA C 13 55.66 0.10 . 1 . . . . . . . . . 5468 1 1381 . 1 1 254 254 LEU CB C 13 41.416 0.10 . 1 . . . . . . . . . 5468 1 1382 . 1 1 254 254 LEU N N 15 126.849 0.15 . 1 . . . . . . . . . 5468 1 1383 . 1 1 255 255 LEU H H 1 8.489 0.03 . 1 . . . . . . . . . 5468 1 1384 . 1 1 255 255 LEU HA H 1 5.7 0.03 . 1 . . . . . . . . . 5468 1 1385 . 1 1 255 255 LEU C C 13 177.176 0.10 . 1 . . . . . . . . . 5468 1 1386 . 1 1 255 255 LEU CA C 13 52.789 0.10 . 1 . . . . . . . . . 5468 1 1387 . 1 1 255 255 LEU CB C 13 45.145 0.10 . 1 . . . . . . . . . 5468 1 1388 . 1 1 255 255 LEU N N 15 120.146 0.15 . 1 . . . . . . . . . 5468 1 1389 . 1 1 256 256 ASP H H 1 7.22 0.03 . 1 . . . . . . . . . 5468 1 1390 . 1 1 256 256 ASP HA H 1 5.67 0.03 . 1 . . . . . . . . . 5468 1 1391 . 1 1 256 256 ASP C C 13 176.25 0.10 . 1 . . . . . . . . . 5468 1 1392 . 1 1 256 256 ASP CA C 13 51.879 0.10 . 1 . . . . . . . . . 5468 1 1393 . 1 1 256 256 ASP CB C 13 41.96 0.10 . 1 . . . . . . . . . 5468 1 1394 . 1 1 256 256 ASP N N 15 117.252 0.15 . 1 . . . . . . . . . 5468 1 1395 . 1 1 257 257 LYS H H 1 7.43 0.03 . 1 . . . . . . . . . 5468 1 1396 . 1 1 257 257 LYS HA H 1 3.69 0.03 . 1 . . . . . . . . . 5468 1 1397 . 1 1 257 257 LYS C C 13 178.5 0.10 . 1 . . . . . . . . . 5468 1 1398 . 1 1 257 257 LYS CA C 13 59.39 0.10 . 1 . . . . . . . . . 5468 1 1399 . 1 1 257 257 LYS CB C 13 32.221 0.10 . 1 . . . . . . . . . 5468 1 1400 . 1 1 257 257 LYS N N 15 115.763 0.15 . 1 . . . . . . . . . 5468 1 1401 . 1 1 258 258 GLU H H 1 7.631 0.03 . 1 . . . . . . . . . 5468 1 1402 . 1 1 258 258 GLU HA H 1 4.03 0.03 . 1 . . . . . . . . . 5468 1 1403 . 1 1 258 258 GLU C C 13 179.136 0.10 . 1 . . . . . . . . . 5468 1 1404 . 1 1 258 258 GLU CA C 13 59.677 0.10 . 1 . . . . . . . . . 5468 1 1405 . 1 1 258 258 GLU CB C 13 29.624 0.10 . 1 . . . . . . . . . 5468 1 1406 . 1 1 258 258 GLU N N 15 115.209 0.15 . 1 . . . . . . . . . 5468 1 1407 . 1 1 259 259 ILE H H 1 8.007 0.03 . 1 . . . . . . . . . 5468 1 1408 . 1 1 259 259 ILE HA H 1 3.69 0.03 . 1 . . . . . . . . . 5468 1 1409 . 1 1 259 259 ILE C C 13 175.284 0.10 . 1 . . . . . . . . . 5468 1 1410 . 1 1 259 259 ILE CA C 13 64.153 0.10 . 1 . . . . . . . . . 5468 1 1411 . 1 1 259 259 ILE CB C 13 37.361 0.10 . 1 . . . . . . . . . 5468 1 1412 . 1 1 259 259 ILE N N 15 117.252 0.15 . 1 . . . . . . . . . 5468 1 1413 . 1 1 260 260 ALA H H 1 7.232 0.03 . 1 . . . . . . . . . 5468 1 1414 . 1 1 260 260 ALA HA H 1 4.17 0.03 . 1 . . . . . . . . . 5468 1 1415 . 1 1 260 260 ALA C C 13 178.303 0.10 . 1 . . . . . . . . . 5468 1 1416 . 1 1 260 260 ALA CA C 13 52.044 0.10 . 1 . . . . . . . . . 5468 1 1417 . 1 1 260 260 ALA CB C 13 20.858 0.10 . 1 . . . . . . . . . 5468 1 1418 . 1 1 260 260 ALA N N 15 117.982 0.15 . 1 . . . . . . . . . 5468 1 1419 . 1 1 261 261 GLU H H 1 7.355 0.03 . 1 . . . . . . . . . 5468 1 1420 . 1 1 261 261 GLU HA H 1 3.94 0.03 . 1 . . . . . . . . . 5468 1 1421 . 1 1 261 261 GLU C C 13 176.912 0.10 . 1 . . . . . . . . . 5468 1 1422 . 1 1 261 261 GLU CA C 13 59.023 0.10 . 1 . . . . . . . . . 5468 1 1423 . 1 1 261 261 GLU CB C 13 29.948 0.10 . 1 . . . . . . . . . 5468 1 1424 . 1 1 261 261 GLU N N 15 117.825 0.15 . 1 . . . . . . . . . 5468 1 1425 . 1 1 262 262 ASN H H 1 8.688 0.03 . 1 . . . . . . . . . 5468 1 1426 . 1 1 262 262 ASN HA H 1 4.71 0.03 . 1 . . . . . . . . . 5468 1 1427 . 1 1 262 262 ASN C C 13 175.513 0.10 . 1 . . . . . . . . . 5468 1 1428 . 1 1 262 262 ASN CA C 13 53.698 0.10 . 1 . . . . . . . . . 5468 1 1429 . 1 1 262 262 ASN CB C 13 38.443 0.10 . 1 . . . . . . . . . 5468 1 1430 . 1 1 262 262 ASN N N 15 114.732 0.15 . 1 . . . . . . . . . 5468 1 1431 . 1 1 263 263 LEU H H 1 7.585 0.03 . 1 . . . . . . . . . 5468 1 1432 . 1 1 263 263 LEU HA H 1 4.15 0.03 . 1 . . . . . . . . . 5468 1 1433 . 1 1 263 263 LEU C C 13 177.139 0.10 . 1 . . . . . . . . . 5468 1 1434 . 1 1 263 263 LEU CA C 13 55.8 0.10 . 1 . . . . . . . . . 5468 1 1435 . 1 1 263 263 LEU CB C 13 41.744 0.10 . 1 . . . . . . . . . 5468 1 1436 . 1 1 263 263 LEU N N 15 120.006 0.15 . 1 . . . . . . . . . 5468 1 1437 . 1 1 264 264 ALA H H 1 8.334 0.03 . 1 . . . . . . . . . 5468 1 1438 . 1 1 264 264 ALA HA H 1 4.12 0.03 . 1 . . . . . . . . . 5468 1 1439 . 1 1 264 264 ALA C C 13 177.047 0.10 . 1 . . . . . . . . . 5468 1 1440 . 1 1 264 264 ALA CA C 13 52.613 0.10 . 1 . . . . . . . . . 5468 1 1441 . 1 1 264 264 ALA CB C 13 18.648 0.10 . 1 . . . . . . . . . 5468 1 1442 . 1 1 264 264 ALA N N 15 122.982 0.15 . 1 . . . . . . . . . 5468 1 1443 . 1 1 265 265 LYS H H 1 7.885 0.03 . 1 . . . . . . . . . 5468 1 1444 . 1 1 265 265 LYS HA H 1 4.14 0.03 . 1 . . . . . . . . . 5468 1 1445 . 1 1 265 265 LYS C C 13 175.305 0.10 . 1 . . . . . . . . . 5468 1 1446 . 1 1 265 265 LYS CA C 13 56.124 0.10 . 1 . . . . . . . . . 5468 1 1447 . 1 1 265 265 LYS CB C 13 32.388 0.10 . 1 . . . . . . . . . 5468 1 1448 . 1 1 265 265 LYS N N 15 118.207 0.15 . 1 . . . . . . . . . 5468 1 1449 . 1 1 266 266 PHE H H 1 7.544 0.03 . 1 . . . . . . . . . 5468 1 1450 . 1 1 266 266 PHE HA H 1 4.431 0.03 . 1 . . . . . . . . . 5468 1 1451 . 1 1 266 266 PHE C C 13 180.202 0.10 . 1 . . . . . . . . . 5468 1 1452 . 1 1 266 266 PHE CA C 13 58.888 0.10 . 1 . . . . . . . . . 5468 1 1453 . 1 1 266 266 PHE CB C 13 40.239 0.10 . 1 . . . . . . . . . 5468 1 1454 . 1 1 266 266 PHE N N 15 124.786 0.15 . 1 . . . . . . . . . 5468 1 stop_ save_