data_18021 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18021 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments of Mg2+ bound Human Integrin Alpha1 I-domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-10-25 _Entry.Accession_date 2011-10-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yanni Chin . K. . 18021 2 Stephen Headey . J. . 18021 3 Paul McEwan . A. . 18021 4 Jonas Emsley . K. . 18021 5 Jamie Simpson . S. . 18021 6 Martin Scanlon . J. . 18021 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Monash Institute of Pharmaceutical Sciences' . 18021 2 . 'Centre for Biomolecular Sciences, The University of Nottingham' . 18021 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18021 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 538 18021 '15N chemical shifts' 178 18021 '1H chemical shifts' 178 18021 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-05-14 2011-10-25 update BMRB 'update entry citation' 18021 1 . . 2013-02-19 2011-10-25 original author 'original release' 18021 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18020 'Apo Alpha1 I-domain' 18021 stop_ save_ ############### # Citations # ############### save_Citation1 _Citation.Sf_category citations _Citation.Sf_framecode Citation1 _Citation.Entry_ID 18021 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23339031 _Citation.Full_citation . _Citation.Title 'Assignments of human integrin a1I domain in the apo and Mg2+ bound states.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 8 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 117 _Citation.Page_last 121 _Citation.Year 2014 _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.Entry_ID _Citation_author.Citation_ID 1 'Yanni K-Y' Chin . . . 18021 1 2 Stephen Headey . . . 18021 1 3 Biswaranjan Mohanty . . . 18021 1 4 Jonas Emsley . . . 18021 1 5 Jamie Simpson . S. . 18021 1 6 Martin Scanlon . J. . 18021 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'I domain' 18021 1 Integrin 18021 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18021 _Assembly.ID 1 _Assembly.Name 'Mg2+ bound alpha1 I-domain' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 21509 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Alpha1 I-domain' 1 $Integrin_Alpha1_I-domain A . yes native no no . . . 18021 1 2 Mg2+ 2 $MG A . no native no no . 'Support ligand coordination' . 18021 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1QC5 . . X-ray . . . 18021 1 yes PDB 1QCY . . X-ray . . . 18021 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Responsible for the binding of collagen' 18021 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Integrin_Alpha1_I-domain _Entity.Sf_category entity _Entity.Sf_framecode Integrin_Alpha1_I-domain _Entity.Entry_ID 18021 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Integrin_Alpha1_I-domain _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 ; STQLDIVIVLDGSNSIYPWD SVTAFLNDLLERMDIGPKQT QVGIVQYGENVTHEFNLNKY SSTEEVLVAAKKIVQRGGRQ TMTALGIDTARKEAFTEARG ARRGVKKVMVIVTDGESHDN HRLKKVIQDCEDENIQRFSI AILGSYNRGNLSTEKFVEEI KSIASEPTEKHFFNVSDELA LVTIVKTLGERI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 192 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Alpha1 I-domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 21485 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18020 . Integrin_Alpha1_I-domain . . . . . 100.00 192 100.00 100.00 5.22e-137 . . . . 18021 1 2 no BMRB 18942 . entity_1 . . . . . 100.00 192 100.00 100.00 5.22e-137 . . . . 18021 1 3 no PDB 1PT6 . "I Domain From Human Integrin Alpha1-beta1" . . . . . 100.00 213 98.96 99.48 1.43e-135 . . . . 18021 1 4 no PDB 1QC5 . "I Domain From Integrin Alpha1-beta1" . . . . . 100.00 192 99.48 100.00 1.76e-136 . . . . 18021 1 5 no PDB 1QCY . "The Crystal Structure Of The I-domain Of Human Integrin Alpha1beta1" . . . . . 99.48 193 98.43 98.95 6.61e-134 . . . . 18021 1 6 no PDB 2M32 . "Alpha-1 Integrin I-domain In Complex With Glogen Triple Helical Peptide" . . . . . 100.00 192 100.00 100.00 5.22e-137 . . . . 18021 1 7 no PDB 4A0Q . "Activated Conformation Of Integrin Alpha1 I-Domain Mutant" . . . . . 100.00 201 98.96 98.96 1.02e-135 . . . . 18021 1 8 no DBJ BAG62150 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 1173 100.00 100.00 1.48e-125 . . . . 18021 1 9 no GB AAI37122 . "Integrin, alpha 1 [Homo sapiens]" . . . . . 100.00 1179 100.00 100.00 1.55e-125 . . . . 18021 1 10 no GB AAI37123 . "Integrin, alpha 1 [Homo sapiens]" . . . . . 100.00 1179 100.00 100.00 1.55e-125 . . . . 18021 1 11 no GB EAW54866 . "hCG2002731, isoform CRA_c [Homo sapiens]" . . . . . 100.00 766 100.00 100.00 3.43e-129 . . . . 18021 1 12 no GB EAW54867 . "hCG2002731, isoform CRA_d [Homo sapiens]" . . . . . 100.00 768 100.00 100.00 4.42e-129 . . . . 18021 1 13 no GB EAW54868 . "hCG2002731, isoform CRA_e [Homo sapiens]" . . . . . 100.00 1177 100.00 100.00 1.34e-125 . . . . 18021 1 14 no REF NP_852478 . "integrin alpha-1 precursor [Homo sapiens]" . . . . . 100.00 1179 100.00 100.00 1.55e-125 . . . . 18021 1 15 no REF XP_001094788 . "PREDICTED: integrin alpha-1 [Macaca mulatta]" . . . . . 100.00 1179 100.00 100.00 2.06e-125 . . . . 18021 1 16 no REF XP_002815595 . "PREDICTED: integrin alpha-1 [Pongo abelii]" . . . . . 100.00 1179 99.48 100.00 1.01e-124 . . . . 18021 1 17 no REF XP_003276564 . "PREDICTED: integrin alpha-1 [Nomascus leucogenys]" . . . . . 100.00 1179 99.48 100.00 7.51e-125 . . . . 18021 1 18 no REF XP_003827398 . "PREDICTED: integrin alpha-1 [Pan paniscus]" . . . . . 100.00 1179 100.00 100.00 1.60e-125 . . . . 18021 1 19 no SP P56199 . "RecName: Full=Integrin alpha-1; AltName: Full=CD49 antigen-like family member A; AltName: Full=Laminin and collagen receptor; A" . . . . . 100.00 1179 100.00 100.00 1.55e-125 . . . . 18021 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Responsible for the binding of collagen' 18021 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 1 140 SER . 18021 1 2 141 THR . 18021 1 3 142 GLN . 18021 1 4 143 LEU . 18021 1 5 144 ASP . 18021 1 6 145 ILE . 18021 1 7 146 VAL . 18021 1 8 147 ILE . 18021 1 9 148 VAL . 18021 1 10 149 LEU . 18021 1 11 150 ASP . 18021 1 12 151 GLY . 18021 1 13 152 SER . 18021 1 14 153 ASN . 18021 1 15 154 SER . 18021 1 16 155 ILE . 18021 1 17 156 TYR . 18021 1 18 157 PRO . 18021 1 19 158 TRP . 18021 1 20 159 ASP . 18021 1 21 160 SER . 18021 1 22 161 VAL . 18021 1 23 162 THR . 18021 1 24 163 ALA . 18021 1 25 164 PHE . 18021 1 26 165 LEU . 18021 1 27 166 ASN . 18021 1 28 167 ASP . 18021 1 29 168 LEU . 18021 1 30 169 LEU . 18021 1 31 170 GLU . 18021 1 32 171 ARG . 18021 1 33 172 MET . 18021 1 34 173 ASP . 18021 1 35 174 ILE . 18021 1 36 175 GLY . 18021 1 37 176 PRO . 18021 1 38 177 LYS . 18021 1 39 178 GLN . 18021 1 40 179 THR . 18021 1 41 180 GLN . 18021 1 42 181 VAL . 18021 1 43 182 GLY . 18021 1 44 183 ILE . 18021 1 45 184 VAL . 18021 1 46 185 GLN . 18021 1 47 186 TYR . 18021 1 48 187 GLY . 18021 1 49 188 GLU . 18021 1 50 189 ASN . 18021 1 51 190 VAL . 18021 1 52 191 THR . 18021 1 53 192 HIS . 18021 1 54 193 GLU . 18021 1 55 194 PHE . 18021 1 56 195 ASN . 18021 1 57 196 LEU . 18021 1 58 197 ASN . 18021 1 59 198 LYS . 18021 1 60 199 TYR . 18021 1 61 200 SER . 18021 1 62 201 SER . 18021 1 63 202 THR . 18021 1 64 203 GLU . 18021 1 65 204 GLU . 18021 1 66 205 VAL . 18021 1 67 206 LEU . 18021 1 68 207 VAL . 18021 1 69 208 ALA . 18021 1 70 209 ALA . 18021 1 71 210 LYS . 18021 1 72 211 LYS . 18021 1 73 212 ILE . 18021 1 74 213 VAL . 18021 1 75 214 GLN . 18021 1 76 215 ARG . 18021 1 77 216 GLY . 18021 1 78 217 GLY . 18021 1 79 218 ARG . 18021 1 80 219 GLN . 18021 1 81 220 THR . 18021 1 82 221 MET . 18021 1 83 222 THR . 18021 1 84 223 ALA . 18021 1 85 224 LEU . 18021 1 86 225 GLY . 18021 1 87 226 ILE . 18021 1 88 227 ASP . 18021 1 89 228 THR . 18021 1 90 229 ALA . 18021 1 91 230 ARG . 18021 1 92 231 LYS . 18021 1 93 232 GLU . 18021 1 94 233 ALA . 18021 1 95 234 PHE . 18021 1 96 235 THR . 18021 1 97 236 GLU . 18021 1 98 237 ALA . 18021 1 99 238 ARG . 18021 1 100 239 GLY . 18021 1 101 240 ALA . 18021 1 102 241 ARG . 18021 1 103 242 ARG . 18021 1 104 243 GLY . 18021 1 105 244 VAL . 18021 1 106 245 LYS . 18021 1 107 246 LYS . 18021 1 108 247 VAL . 18021 1 109 248 MET . 18021 1 110 249 VAL . 18021 1 111 250 ILE . 18021 1 112 251 VAL . 18021 1 113 252 THR . 18021 1 114 253 ASP . 18021 1 115 254 GLY . 18021 1 116 255 GLU . 18021 1 117 256 SER . 18021 1 118 257 HIS . 18021 1 119 258 ASP . 18021 1 120 259 ASN . 18021 1 121 260 HIS . 18021 1 122 261 ARG . 18021 1 123 262 LEU . 18021 1 124 263 LYS . 18021 1 125 264 LYS . 18021 1 126 265 VAL . 18021 1 127 266 ILE . 18021 1 128 267 GLN . 18021 1 129 268 ASP . 18021 1 130 269 CYS . 18021 1 131 270 GLU . 18021 1 132 271 ASP . 18021 1 133 272 GLU . 18021 1 134 273 ASN . 18021 1 135 274 ILE . 18021 1 136 275 GLN . 18021 1 137 276 ARG . 18021 1 138 277 PHE . 18021 1 139 278 SER . 18021 1 140 279 ILE . 18021 1 141 280 ALA . 18021 1 142 281 ILE . 18021 1 143 282 LEU . 18021 1 144 283 GLY . 18021 1 145 284 SER . 18021 1 146 285 TYR . 18021 1 147 286 ASN . 18021 1 148 287 ARG . 18021 1 149 288 GLY . 18021 1 150 289 ASN . 18021 1 151 290 LEU . 18021 1 152 291 SER . 18021 1 153 292 THR . 18021 1 154 293 GLU . 18021 1 155 294 LYS . 18021 1 156 295 PHE . 18021 1 157 296 VAL . 18021 1 158 297 GLU . 18021 1 159 298 GLU . 18021 1 160 299 ILE . 18021 1 161 300 LYS . 18021 1 162 301 SER . 18021 1 163 302 ILE . 18021 1 164 303 ALA . 18021 1 165 304 SER . 18021 1 166 305 GLU . 18021 1 167 306 PRO . 18021 1 168 307 THR . 18021 1 169 308 GLU . 18021 1 170 309 LYS . 18021 1 171 310 HIS . 18021 1 172 311 PHE . 18021 1 173 312 PHE . 18021 1 174 313 ASN . 18021 1 175 314 VAL . 18021 1 176 315 SER . 18021 1 177 316 ASP . 18021 1 178 317 GLU . 18021 1 179 318 LEU . 18021 1 180 319 ALA . 18021 1 181 320 LEU . 18021 1 182 321 VAL . 18021 1 183 322 THR . 18021 1 184 323 ILE . 18021 1 185 324 VAL . 18021 1 186 325 LYS . 18021 1 187 326 THR . 18021 1 188 327 LEU . 18021 1 189 328 GLY . 18021 1 190 329 GLU . 18021 1 191 330 ARG . 18021 1 192 331 ILE . 18021 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 . SER 1 1 18021 1 . THR 2 2 18021 1 . GLN 3 3 18021 1 . LEU 4 4 18021 1 . ASP 5 5 18021 1 . ILE 6 6 18021 1 . VAL 7 7 18021 1 . ILE 8 8 18021 1 . VAL 9 9 18021 1 . LEU 10 10 18021 1 . ASP 11 11 18021 1 . GLY 12 12 18021 1 . SER 13 13 18021 1 . ASN 14 14 18021 1 . SER 15 15 18021 1 . ILE 16 16 18021 1 . TYR 17 17 18021 1 . PRO 18 18 18021 1 . TRP 19 19 18021 1 . ASP 20 20 18021 1 . SER 21 21 18021 1 . VAL 22 22 18021 1 . THR 23 23 18021 1 . ALA 24 24 18021 1 . PHE 25 25 18021 1 . LEU 26 26 18021 1 . ASN 27 27 18021 1 . ASP 28 28 18021 1 . LEU 29 29 18021 1 . LEU 30 30 18021 1 . GLU 31 31 18021 1 . ARG 32 32 18021 1 . MET 33 33 18021 1 . ASP 34 34 18021 1 . ILE 35 35 18021 1 . GLY 36 36 18021 1 . PRO 37 37 18021 1 . LYS 38 38 18021 1 . GLN 39 39 18021 1 . THR 40 40 18021 1 . GLN 41 41 18021 1 . VAL 42 42 18021 1 . GLY 43 43 18021 1 . ILE 44 44 18021 1 . VAL 45 45 18021 1 . GLN 46 46 18021 1 . TYR 47 47 18021 1 . GLY 48 48 18021 1 . GLU 49 49 18021 1 . ASN 50 50 18021 1 . VAL 51 51 18021 1 . THR 52 52 18021 1 . HIS 53 53 18021 1 . GLU 54 54 18021 1 . PHE 55 55 18021 1 . ASN 56 56 18021 1 . LEU 57 57 18021 1 . ASN 58 58 18021 1 . LYS 59 59 18021 1 . TYR 60 60 18021 1 . SER 61 61 18021 1 . SER 62 62 18021 1 . THR 63 63 18021 1 . GLU 64 64 18021 1 . GLU 65 65 18021 1 . VAL 66 66 18021 1 . LEU 67 67 18021 1 . VAL 68 68 18021 1 . ALA 69 69 18021 1 . ALA 70 70 18021 1 . LYS 71 71 18021 1 . LYS 72 72 18021 1 . ILE 73 73 18021 1 . VAL 74 74 18021 1 . GLN 75 75 18021 1 . ARG 76 76 18021 1 . GLY 77 77 18021 1 . GLY 78 78 18021 1 . ARG 79 79 18021 1 . GLN 80 80 18021 1 . THR 81 81 18021 1 . MET 82 82 18021 1 . THR 83 83 18021 1 . ALA 84 84 18021 1 . LEU 85 85 18021 1 . GLY 86 86 18021 1 . ILE 87 87 18021 1 . ASP 88 88 18021 1 . THR 89 89 18021 1 . ALA 90 90 18021 1 . ARG 91 91 18021 1 . LYS 92 92 18021 1 . GLU 93 93 18021 1 . ALA 94 94 18021 1 . PHE 95 95 18021 1 . THR 96 96 18021 1 . GLU 97 97 18021 1 . ALA 98 98 18021 1 . ARG 99 99 18021 1 . GLY 100 100 18021 1 . ALA 101 101 18021 1 . ARG 102 102 18021 1 . ARG 103 103 18021 1 . GLY 104 104 18021 1 . VAL 105 105 18021 1 . LYS 106 106 18021 1 . LYS 107 107 18021 1 . VAL 108 108 18021 1 . MET 109 109 18021 1 . VAL 110 110 18021 1 . ILE 111 111 18021 1 . VAL 112 112 18021 1 . THR 113 113 18021 1 . ASP 114 114 18021 1 . GLY 115 115 18021 1 . GLU 116 116 18021 1 . SER 117 117 18021 1 . HIS 118 118 18021 1 . ASP 119 119 18021 1 . ASN 120 120 18021 1 . HIS 121 121 18021 1 . ARG 122 122 18021 1 . LEU 123 123 18021 1 . LYS 124 124 18021 1 . LYS 125 125 18021 1 . VAL 126 126 18021 1 . ILE 127 127 18021 1 . GLN 128 128 18021 1 . ASP 129 129 18021 1 . CYS 130 130 18021 1 . GLU 131 131 18021 1 . ASP 132 132 18021 1 . GLU 133 133 18021 1 . ASN 134 134 18021 1 . ILE 135 135 18021 1 . GLN 136 136 18021 1 . ARG 137 137 18021 1 . PHE 138 138 18021 1 . SER 139 139 18021 1 . ILE 140 140 18021 1 . ALA 141 141 18021 1 . ILE 142 142 18021 1 . LEU 143 143 18021 1 . GLY 144 144 18021 1 . SER 145 145 18021 1 . TYR 146 146 18021 1 . ASN 147 147 18021 1 . ARG 148 148 18021 1 . GLY 149 149 18021 1 . ASN 150 150 18021 1 . LEU 151 151 18021 1 . SER 152 152 18021 1 . THR 153 153 18021 1 . GLU 154 154 18021 1 . LYS 155 155 18021 1 . PHE 156 156 18021 1 . VAL 157 157 18021 1 . GLU 158 158 18021 1 . GLU 159 159 18021 1 . ILE 160 160 18021 1 . LYS 161 161 18021 1 . SER 162 162 18021 1 . ILE 163 163 18021 1 . ALA 164 164 18021 1 . SER 165 165 18021 1 . GLU 166 166 18021 1 . PRO 167 167 18021 1 . THR 168 168 18021 1 . GLU 169 169 18021 1 . LYS 170 170 18021 1 . HIS 171 171 18021 1 . PHE 172 172 18021 1 . PHE 173 173 18021 1 . ASN 174 174 18021 1 . VAL 175 175 18021 1 . SER 176 176 18021 1 . ASP 177 177 18021 1 . GLU 178 178 18021 1 . LEU 179 179 18021 1 . ALA 180 180 18021 1 . LEU 181 181 18021 1 . VAL 182 182 18021 1 . THR 183 183 18021 1 . ILE 184 184 18021 1 . VAL 185 185 18021 1 . LYS 186 186 18021 1 . THR 187 187 18021 1 . LEU 188 188 18021 1 . GLY 189 189 18021 1 . GLU 190 190 18021 1 . ARG 191 191 18021 1 . ILE 192 192 18021 1 stop_ save_ save_MG _Entity.Sf_category entity _Entity.Sf_framecode MG _Entity.Entry_ID 18021 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name MG _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MG . 18021 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18021 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Integrin_Alpha1_I-domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18021 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 18021 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Integrin_Alpha1_I-domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 CODON+ RP (DE3)' . . . . . . . . . . . . . . . p28a+ . . . . . . 18021 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 18021 _Chem_comp.ID MG _Chem_comp.Provenance . _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code MG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MG _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Mg _Chem_comp.Formula_weight 24.305 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 26 15:05:09 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Mg/q+2 InChI InChI 1.03 18021 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 18021 MG [Mg++] SMILES CACTVS 3.341 18021 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 18021 MG [Mg+2] SMILES ACDLabs 10.04 18021 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 18021 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18021 MG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 18021 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18021 MG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID MG . MG . . MG . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 18021 MG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_1H_13C_15N_Alpha1I+Mg _Sample.Sf_category sample _Sample.Sf_framecode 1H_13C_15N_Alpha1I+Mg _Sample.Entry_ID 18021 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Integrin Alpha1 I-domain' '[U-99% 13C; U-99% 15N]' . . 1 $Integrin_Alpha1_I-domain . . 0.4 . . mM . . . . 18021 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 18021 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18021 1 4 'Magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 18021 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18021 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18021 1 stop_ save_ ####################### # Sample conditions # ####################### save_Mg_Condition _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Mg_Condition _Sample_condition_list.Entry_ID 18021 _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 pH 7.4 . pH 18021 1 pressure 1 . atm 18021 1 temperature 298 . K 18021 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18021 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18021 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18021 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 18021 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 18021 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18021 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18021 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18021 _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 spectrometer_1 Bruker Avance . 800 . . . 18021 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 18021 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $1H_13C_15N_Alpha1I+Mg isotropic . . 1 $Mg_Condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18021 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $1H_13C_15N_Alpha1I+Mg isotropic . . 1 $Mg_Condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18021 1 3 '3D HNCO' no . . . . . . . . . . 1 $1H_13C_15N_Alpha1I+Mg isotropic . . 1 $Mg_Condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18021 1 4 '3D HNCACB' no . . . . . . . . . . 1 $1H_13C_15N_Alpha1I+Mg isotropic . . 1 $Mg_Condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18021 1 5 '3D HCACO' no . . . . . . . . . . 1 $1H_13C_15N_Alpha1I+Mg isotropic . . 1 $Mg_Condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18021 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18021 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7546646 na indirect 0.251449530 . . . . . . . . . 18021 1 H 1 water protons . . . . ppm 4.7546646 internal direct 1.000000000 . . . . . . . . . 18021 1 N 15 water protons . . . . ppm 4.7546646 na indirect 0.101329118 . . . . . . . . . 18021 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_Mg_A1_Assignment _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Mg_A1_Assignment _Assigned_chem_shift_list.Entry_ID 18021 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Mg_Condition _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18021 1 2 '3D CBCA(CO)NH' . . . 18021 1 3 '3D HNCO' . . . 18021 1 4 '3D HNCACB' . . . 18021 1 5 '3D HCACO' . . . 18021 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.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 SER C C 13 174.578 . . . . . . . 1 SER C . 18021 1 2 . 1 1 1 1 SER CA C 13 58.359 . . . . . . . 1 SER CA . 18021 1 3 . 1 1 1 1 SER CB C 13 63.416 . . . . . . . 1 SER CB . 18021 1 4 . 1 1 2 2 THR H H 1 8.18 . . . . . . . 2 THR H . 18021 1 5 . 1 1 2 2 THR C C 13 174.536 . . . . . . . 2 THR C . 18021 1 6 . 1 1 2 2 THR CA C 13 61.849 . . . . . . . 2 THR CA . 18021 1 7 . 1 1 2 2 THR CB C 13 69.32 . . . . . . . 2 THR CB . 18021 1 8 . 1 1 2 2 THR N N 15 115.944 . . . . . . . 2 THR N . 18021 1 9 . 1 1 3 3 GLN H H 1 8.281 . . . . . . . 3 GLN H . 18021 1 10 . 1 1 3 3 GLN C C 13 174.494 . . . . . . . 3 GLN C . 18021 1 11 . 1 1 3 3 GLN CA C 13 56.02 . . . . . . . 3 GLN CA . 18021 1 12 . 1 1 3 3 GLN CB C 13 29.52 . . . . . . . 3 GLN CB . 18021 1 13 . 1 1 3 3 GLN N N 15 122.744 . . . . . . . 3 GLN N . 18021 1 14 . 1 1 4 4 LEU H H 1 6.996 . . . . . . . 4 LEU H . 18021 1 15 . 1 1 4 4 LEU C C 13 174.796 . . . . . . . 4 LEU C . 18021 1 16 . 1 1 4 4 LEU CA C 13 54.12 . . . . . . . 4 LEU CA . 18021 1 17 . 1 1 4 4 LEU CB C 13 46.52 . . . . . . . 4 LEU CB . 18021 1 18 . 1 1 4 4 LEU N N 15 121.547 . . . . . . . 4 LEU N . 18021 1 19 . 1 1 5 5 ASP H H 1 8.913 . . . . . . . 5 ASP H . 18021 1 20 . 1 1 5 5 ASP C C 13 173.54 . . . . . . . 5 ASP C . 18021 1 21 . 1 1 5 5 ASP CA C 13 53.82 . . . . . . . 5 ASP CA . 18021 1 22 . 1 1 5 5 ASP CB C 13 42.12 . . . . . . . 5 ASP CB . 18021 1 23 . 1 1 5 5 ASP N N 15 125.974 . . . . . . . 5 ASP N . 18021 1 24 . 1 1 6 6 ILE H H 1 8.991 . . . . . . . 6 ILE H . 18021 1 25 . 1 1 6 6 ILE C C 13 174.327 . . . . . . . 6 ILE C . 18021 1 26 . 1 1 6 6 ILE CA C 13 58.82 . . . . . . . 6 ILE CA . 18021 1 27 . 1 1 6 6 ILE CB C 13 40.22 . . . . . . . 6 ILE CB . 18021 1 28 . 1 1 6 6 ILE N N 15 122.82 . . . . . . . 6 ILE N . 18021 1 29 . 1 1 7 7 VAL H H 1 8.955 . . . . . . . 7 VAL H . 18021 1 30 . 1 1 7 7 VAL C C 13 175.466 . . . . . . . 7 VAL C . 18021 1 31 . 1 1 7 7 VAL CA C 13 59.32 . . . . . . . 7 VAL CA . 18021 1 32 . 1 1 7 7 VAL CB C 13 33.72 . . . . . . . 7 VAL CB . 18021 1 33 . 1 1 7 7 VAL N N 15 124.225 . . . . . . . 7 VAL N . 18021 1 34 . 1 1 8 8 ILE H H 1 8.52 . . . . . . . 8 ILE H . 18021 1 35 . 1 1 8 8 ILE C C 13 173.557 . . . . . . . 8 ILE C . 18021 1 36 . 1 1 8 8 ILE CA C 13 59.42 . . . . . . . 8 ILE CA . 18021 1 37 . 1 1 8 8 ILE CB C 13 38.02 . . . . . . . 8 ILE CB . 18021 1 38 . 1 1 8 8 ILE N N 15 127.455 . . . . . . . 8 ILE N . 18021 1 39 . 1 1 9 9 VAL H H 1 9.656 . . . . . . . 9 VAL H . 18021 1 40 . 1 1 9 9 VAL C C 13 174.076 . . . . . . . 9 VAL C . 18021 1 41 . 1 1 9 9 VAL CA C 13 61.22 . . . . . . . 9 VAL CA . 18021 1 42 . 1 1 9 9 VAL CB C 13 32.12 . . . . . . . 9 VAL CB . 18021 1 43 . 1 1 9 9 VAL N N 15 129.559 . . . . . . . 9 VAL N . 18021 1 44 . 1 1 10 10 LEU H H 1 9.245 . . . . . . . 10 LEU H . 18021 1 45 . 1 1 10 10 LEU C C 13 174.21 . . . . . . . 10 LEU C . 18021 1 46 . 1 1 10 10 LEU CA C 13 53.32 . . . . . . . 10 LEU CA . 18021 1 47 . 1 1 10 10 LEU CB C 13 45.22 . . . . . . . 10 LEU CB . 18021 1 48 . 1 1 10 10 LEU N N 15 125.114 . . . . . . . 10 LEU N . 18021 1 49 . 1 1 11 11 ASP H H 1 8.141 . . . . . . . 11 ASP H . 18021 1 50 . 1 1 11 11 ASP C C 13 174.411 . . . . . . . 11 ASP C . 18021 1 51 . 1 1 11 11 ASP CA C 13 53.32 . . . . . . . 11 ASP CA . 18021 1 52 . 1 1 11 11 ASP CB C 13 42.32 . . . . . . . 11 ASP CB . 18021 1 53 . 1 1 11 11 ASP N N 15 128.078 . . . . . . . 11 ASP N . 18021 1 54 . 1 1 12 12 GLY H H 1 8.203 . . . . . . . 12 GLY H . 18021 1 55 . 1 1 12 12 GLY C C 13 176.052 . . . . . . . 12 GLY C . 18021 1 56 . 1 1 12 12 GLY CA C 13 44.612 . . . . . . . 12 GLY CA . 18021 1 57 . 1 1 12 12 GLY N N 15 112.195 . . . . . . . 12 GLY N . 18021 1 58 . 1 1 13 13 SER H H 1 8.972 . . . . . . . 13 SER H . 18021 1 59 . 1 1 13 13 SER C C 13 175.299 . . . . . . . 13 SER C . 18021 1 60 . 1 1 13 13 SER CA C 13 58.34 . . . . . . . 13 SER CA . 18021 1 61 . 1 1 13 13 SER CB C 13 63.452 . . . . . . . 13 SER CB . 18021 1 62 . 1 1 13 13 SER N N 15 112.639 . . . . . . . 13 SER N . 18021 1 63 . 1 1 14 14 ASN H H 1 8.437 . . . . . . . 14 ASN H . 18021 1 64 . 1 1 14 14 ASN C C 13 174.612 . . . . . . . 14 ASN C . 18021 1 65 . 1 1 14 14 ASN CA C 13 55.12 . . . . . . . 14 ASN CA . 18021 1 66 . 1 1 14 14 ASN CB C 13 38.212 . . . . . . . 14 ASN CB . 18021 1 67 . 1 1 14 14 ASN N N 15 116.078 . . . . . . . 14 ASN N . 18021 1 68 . 1 1 15 15 SER H H 1 7.256 . . . . . . . 15 SER H . 18021 1 69 . 1 1 15 15 SER C C 13 173.892 . . . . . . . 15 SER C . 18021 1 70 . 1 1 15 15 SER CA C 13 59.734 . . . . . . . 15 SER CA . 18021 1 71 . 1 1 15 15 SER CB C 13 61.792 . . . . . . . 15 SER CB . 18021 1 72 . 1 1 15 15 SER N N 15 112.618 . . . . . . . 15 SER N . 18021 1 73 . 1 1 16 16 ILE H H 1 7.063 . . . . . . . 16 ILE H . 18021 1 74 . 1 1 16 16 ILE C C 13 175.951 . . . . . . . 16 ILE C . 18021 1 75 . 1 1 16 16 ILE CA C 13 61.859 . . . . . . . 16 ILE CA . 18021 1 76 . 1 1 16 16 ILE CB C 13 37.758 . . . . . . . 16 ILE CB . 18021 1 77 . 1 1 16 16 ILE N N 15 123.889 . . . . . . . 16 ILE N . 18021 1 78 . 1 1 17 17 TYR H H 1 9.388 . . . . . . . 17 TYR H . 18021 1 79 . 1 1 17 17 TYR CA C 13 55.611 . . . . . . . 17 TYR CA . 18021 1 80 . 1 1 17 17 TYR CB C 13 41.556 . . . . . . . 17 TYR CB . 18021 1 81 . 1 1 17 17 TYR N N 15 128.137 . . . . . . . 17 TYR N . 18021 1 82 . 1 1 18 18 PRO C C 13 177.776 . . . . . . . 18 PRO C . 18021 1 83 . 1 1 18 18 PRO CA C 13 61.52 . . . . . . . 18 PRO CA . 18021 1 84 . 1 1 18 18 PRO CB C 13 32.92 . . . . . . . 18 PRO CB . 18021 1 85 . 1 1 19 19 TRP H H 1 9.379 . . . . . . . 19 TRP H . 18021 1 86 . 1 1 19 19 TRP C C 13 177.073 . . . . . . . 19 TRP C . 18021 1 87 . 1 1 19 19 TRP CA C 13 58.82 . . . . . . . 19 TRP CA . 18021 1 88 . 1 1 19 19 TRP CB C 13 29.12 . . . . . . . 19 TRP CB . 18021 1 89 . 1 1 19 19 TRP N N 15 126.003 . . . . . . . 19 TRP N . 18021 1 90 . 1 1 20 20 ASP H H 1 8.466 . . . . . . . 20 ASP H . 18021 1 91 . 1 1 20 20 ASP C C 13 178.094 . . . . . . . 20 ASP C . 18021 1 92 . 1 1 20 20 ASP CA C 13 55.52 . . . . . . . 20 ASP CA . 18021 1 93 . 1 1 20 20 ASP CB C 13 39.62 . . . . . . . 20 ASP CB . 18021 1 94 . 1 1 20 20 ASP N N 15 113.528 . . . . . . . 20 ASP N . 18021 1 95 . 1 1 21 21 SER H H 1 7.486 . . . . . . . 21 SER H . 18021 1 96 . 1 1 21 21 SER C C 13 176.37 . . . . . . . 21 SER C . 18021 1 97 . 1 1 21 21 SER CA C 13 62.124 . . . . . . . 21 SER CA . 18021 1 98 . 1 1 21 21 SER CB C 13 62.903 . . . . . . . 21 SER CB . 18021 1 99 . 1 1 21 21 SER N N 15 114.799 . . . . . . . 21 SER N . 18021 1 100 . 1 1 22 22 VAL H H 1 7.428 . . . . . . . 22 VAL H . 18021 1 101 . 1 1 22 22 VAL C C 13 178.094 . . . . . . . 22 VAL C . 18021 1 102 . 1 1 22 22 VAL CA C 13 65.62 . . . . . . . 22 VAL CA . 18021 1 103 . 1 1 22 22 VAL CB C 13 29.72 . . . . . . . 22 VAL CB . 18021 1 104 . 1 1 22 22 VAL N N 15 124.049 . . . . . . . 22 VAL N . 18021 1 105 . 1 1 23 23 THR H H 1 7.506 . . . . . . . 23 THR H . 18021 1 106 . 1 1 23 23 THR C C 13 177.76 . . . . . . . 23 THR C . 18021 1 107 . 1 1 23 23 THR CA C 13 65.517 . . . . . . . 23 THR CA . 18021 1 108 . 1 1 23 23 THR CB C 13 67.12 . . . . . . . 23 THR CB . 18021 1 109 . 1 1 23 23 THR N N 15 110.392 . . . . . . . 23 THR N . 18021 1 110 . 1 1 24 24 ALA H H 1 7.937 . . . . . . . 24 ALA H . 18021 1 111 . 1 1 24 24 ALA C C 13 178.731 . . . . . . . 24 ALA C . 18021 1 112 . 1 1 24 24 ALA CA C 13 54.92 . . . . . . . 24 ALA CA . 18021 1 113 . 1 1 24 24 ALA CB C 13 17.92 . . . . . . . 24 ALA CB . 18021 1 114 . 1 1 24 24 ALA N N 15 124.64 . . . . . . . 24 ALA N . 18021 1 115 . 1 1 25 25 PHE H H 1 7.141 . . . . . . . 25 PHE H . 18021 1 116 . 1 1 25 25 PHE C C 13 175.348 . . . . . . . 25 PHE C . 18021 1 117 . 1 1 25 25 PHE CA C 13 60.32 . . . . . . . 25 PHE CA . 18021 1 118 . 1 1 25 25 PHE CB C 13 38.32 . . . . . . . 25 PHE CB . 18021 1 119 . 1 1 25 25 PHE N N 15 118.282 . . . . . . . 25 PHE N . 18021 1 120 . 1 1 26 26 LEU H H 1 7.928 . . . . . . . 26 LEU H . 18021 1 121 . 1 1 26 26 LEU C C 13 177.977 . . . . . . . 26 LEU C . 18021 1 122 . 1 1 26 26 LEU CA C 13 57.02 . . . . . . . 26 LEU CA . 18021 1 123 . 1 1 26 26 LEU CB C 13 41.42 . . . . . . . 26 LEU CB . 18021 1 124 . 1 1 26 26 LEU N N 15 115.961 . . . . . . . 26 LEU N . 18021 1 125 . 1 1 27 27 ASN H H 1 8.059 . . . . . . . 27 ASN H . 18021 1 126 . 1 1 27 27 ASN C C 13 175.683 . . . . . . . 27 ASN C . 18021 1 127 . 1 1 27 27 ASN CA C 13 57.211 . . . . . . . 27 ASN CA . 18021 1 128 . 1 1 27 27 ASN CB C 13 40.22 . . . . . . . 27 ASN CB . 18021 1 129 . 1 1 27 27 ASN N N 15 115.187 . . . . . . . 27 ASN N . 18021 1 130 . 1 1 28 28 ASP H H 1 8.312 . . . . . . . 28 ASP H . 18021 1 131 . 1 1 28 28 ASP C C 13 178.212 . . . . . . . 28 ASP C . 18021 1 132 . 1 1 28 28 ASP CA C 13 56.411 . . . . . . . 28 ASP CA . 18021 1 133 . 1 1 28 28 ASP CB C 13 39.491 . . . . . . . 28 ASP CB . 18021 1 134 . 1 1 28 28 ASP N N 15 117.202 . . . . . . . 28 ASP N . 18021 1 135 . 1 1 29 29 LEU H H 1 7.989 . . . . . . . 29 LEU H . 18021 1 136 . 1 1 29 29 LEU C C 13 177.86 . . . . . . . 29 LEU C . 18021 1 137 . 1 1 29 29 LEU CA C 13 57.02 . . . . . . . 29 LEU CA . 18021 1 138 . 1 1 29 29 LEU CB C 13 42.32 . . . . . . . 29 LEU CB . 18021 1 139 . 1 1 29 29 LEU N N 15 119.104 . . . . . . . 29 LEU N . 18021 1 140 . 1 1 30 30 LEU H H 1 7.952 . . . . . . . 30 LEU H . 18021 1 141 . 1 1 30 30 LEU C C 13 179.233 . . . . . . . 30 LEU C . 18021 1 142 . 1 1 30 30 LEU CA C 13 56.62 . . . . . . . 30 LEU CA . 18021 1 143 . 1 1 30 30 LEU CB C 13 40.82 . . . . . . . 30 LEU CB . 18021 1 144 . 1 1 30 30 LEU N N 15 115.488 . . . . . . . 30 LEU N . 18021 1 145 . 1 1 31 31 GLU H H 1 8.221 . . . . . . . 31 GLU H . 18021 1 146 . 1 1 31 31 GLU C C 13 176.939 . . . . . . . 31 GLU C . 18021 1 147 . 1 1 31 31 GLU CA C 13 58.42 . . . . . . . 31 GLU CA . 18021 1 148 . 1 1 31 31 GLU CB C 13 28.32 . . . . . . . 31 GLU CB . 18021 1 149 . 1 1 31 31 GLU N N 15 114.832 . . . . . . . 31 GLU N . 18021 1 150 . 1 1 32 32 ARG H H 1 6.791 . . . . . . . 32 ARG H . 18021 1 151 . 1 1 32 32 ARG C C 13 176.437 . . . . . . . 32 ARG C . 18021 1 152 . 1 1 32 32 ARG CA C 13 54.92 . . . . . . . 32 ARG CA . 18021 1 153 . 1 1 32 32 ARG CB C 13 29.82 . . . . . . . 32 ARG CB . 18021 1 154 . 1 1 32 32 ARG N N 15 113.812 . . . . . . . 32 ARG N . 18021 1 155 . 1 1 33 33 MET H H 1 7.708 . . . . . . . 33 MET H . 18021 1 156 . 1 1 33 33 MET C C 13 174.779 . . . . . . . 33 MET C . 18021 1 157 . 1 1 33 33 MET CA C 13 55.32 . . . . . . . 33 MET CA . 18021 1 158 . 1 1 33 33 MET CB C 13 33.62 . . . . . . . 33 MET CB . 18021 1 159 . 1 1 33 33 MET N N 15 118.288 . . . . . . . 33 MET N . 18021 1 160 . 1 1 34 34 ASP H H 1 8.846 . . . . . . . 34 ASP H . 18021 1 161 . 1 1 34 34 ASP C C 13 173.791 . . . . . . . 34 ASP C . 18021 1 162 . 1 1 34 34 ASP CA C 13 52.82 . . . . . . . 34 ASP CA . 18021 1 163 . 1 1 34 34 ASP CB C 13 40.02 . . . . . . . 34 ASP CB . 18021 1 164 . 1 1 34 34 ASP N N 15 123.633 . . . . . . . 34 ASP N . 18021 1 165 . 1 1 35 35 ILE H H 1 7.175 . . . . . . . 35 ILE H . 18021 1 166 . 1 1 35 35 ILE C C 13 176.587 . . . . . . . 35 ILE C . 18021 1 167 . 1 1 35 35 ILE CA C 13 58.12 . . . . . . . 35 ILE CA . 18021 1 168 . 1 1 35 35 ILE CB C 13 37.22 . . . . . . . 35 ILE CB . 18021 1 169 . 1 1 35 35 ILE N N 15 123.613 . . . . . . . 35 ILE N . 18021 1 170 . 1 1 36 36 GLY H H 1 8.872 . . . . . . . 36 GLY H . 18021 1 171 . 1 1 36 36 GLY CA C 13 45.12 . . . . . . . 36 GLY CA . 18021 1 172 . 1 1 36 36 GLY N N 15 112.935 . . . . . . . 36 GLY N . 18021 1 173 . 1 1 37 37 PRO C C 13 178.479 . . . . . . . 37 PRO C . 18021 1 174 . 1 1 37 37 PRO CA C 13 64.22 . . . . . . . 37 PRO CA . 18021 1 175 . 1 1 37 37 PRO CB C 13 31.42 . . . . . . . 37 PRO CB . 18021 1 176 . 1 1 38 38 LYS H H 1 8.299 . . . . . . . 38 LYS H . 18021 1 177 . 1 1 38 38 LYS C C 13 176.387 . . . . . . . 38 LYS C . 18021 1 178 . 1 1 38 38 LYS CA C 13 54.22 . . . . . . . 38 LYS CA . 18021 1 179 . 1 1 38 38 LYS CB C 13 31.92 . . . . . . . 38 LYS CB . 18021 1 180 . 1 1 38 38 LYS N N 15 116.806 . . . . . . . 38 LYS N . 18021 1 181 . 1 1 39 39 GLN H H 1 7.72 . . . . . . . 39 GLN H . 18021 1 182 . 1 1 39 39 GLN C C 13 176.119 . . . . . . . 39 GLN C . 18021 1 183 . 1 1 39 39 GLN CA C 13 55.02 . . . . . . . 39 GLN CA . 18021 1 184 . 1 1 39 39 GLN CB C 13 28.62 . . . . . . . 39 GLN CB . 18021 1 185 . 1 1 39 39 GLN N N 15 121.938 . . . . . . . 39 GLN N . 18021 1 186 . 1 1 40 40 THR H H 1 8.753 . . . . . . . 40 THR H . 18021 1 187 . 1 1 40 40 THR C C 13 172.502 . . . . . . . 40 THR C . 18021 1 188 . 1 1 40 40 THR CA C 13 63.313 . . . . . . . 40 THR CA . 18021 1 189 . 1 1 40 40 THR CB C 13 69.269 . . . . . . . 40 THR CB . 18021 1 190 . 1 1 40 40 THR N N 15 125.351 . . . . . . . 40 THR N . 18021 1 191 . 1 1 41 41 GLN H H 1 8.968 . . . . . . . 41 GLN H . 18021 1 192 . 1 1 41 41 GLN C C 13 174.176 . . . . . . . 41 GLN C . 18021 1 193 . 1 1 41 41 GLN CA C 13 54.42 . . . . . . . 41 GLN CA . 18021 1 194 . 1 1 41 41 GLN CB C 13 33.22 . . . . . . . 41 GLN CB . 18021 1 195 . 1 1 41 41 GLN N N 15 122.982 . . . . . . . 41 GLN N . 18021 1 196 . 1 1 42 42 VAL H H 1 8.131 . . . . . . . 42 VAL H . 18021 1 197 . 1 1 42 42 VAL C C 13 173.356 . . . . . . . 42 VAL C . 18021 1 198 . 1 1 42 42 VAL CA C 13 59.42 . . . . . . . 42 VAL CA . 18021 1 199 . 1 1 42 42 VAL CB C 13 35.92 . . . . . . . 42 VAL CB . 18021 1 200 . 1 1 42 42 VAL N N 15 118.625 . . . . . . . 42 VAL N . 18021 1 201 . 1 1 43 43 GLY H H 1 8.698 . . . . . . . 43 GLY H . 18021 1 202 . 1 1 43 43 GLY C C 13 172.234 . . . . . . . 43 GLY C . 18021 1 203 . 1 1 43 43 GLY CA C 13 42.82 . . . . . . . 43 GLY CA . 18021 1 204 . 1 1 43 43 GLY N N 15 110.624 . . . . . . . 43 GLY N . 18021 1 205 . 1 1 44 44 ILE H H 1 7.216 . . . . . . . 44 ILE H . 18021 1 206 . 1 1 44 44 ILE C C 13 174.193 . . . . . . . 44 ILE C . 18021 1 207 . 1 1 44 44 ILE CA C 13 60.22 . . . . . . . 44 ILE CA . 18021 1 208 . 1 1 44 44 ILE CB C 13 40.62 . . . . . . . 44 ILE CB . 18021 1 209 . 1 1 44 44 ILE N N 15 115.442 . . . . . . . 44 ILE N . 18021 1 210 . 1 1 45 45 VAL H H 1 9.25 . . . . . . . 45 VAL H . 18021 1 211 . 1 1 45 45 VAL C C 13 173.423 . . . . . . . 45 VAL C . 18021 1 212 . 1 1 45 45 VAL CA C 13 59.32 . . . . . . . 45 VAL CA . 18021 1 213 . 1 1 45 45 VAL CB C 13 34.806 . . . . . . . 45 VAL CB . 18021 1 214 . 1 1 45 45 VAL N N 15 126.833 . . . . . . . 45 VAL N . 18021 1 215 . 1 1 46 46 GLN H H 1 9.298 . . . . . . . 46 GLN H . 18021 1 216 . 1 1 46 46 GLN C C 13 174.243 . . . . . . . 46 GLN C . 18021 1 217 . 1 1 46 46 GLN CA C 13 53.014 . . . . . . . 46 GLN CA . 18021 1 218 . 1 1 46 46 GLN CB C 13 31.82 . . . . . . . 46 GLN CB . 18021 1 219 . 1 1 46 46 GLN N N 15 125.381 . . . . . . . 46 GLN N . 18021 1 220 . 1 1 47 47 TYR H H 1 9.539 . . . . . . . 47 TYR H . 18021 1 221 . 1 1 47 47 TYR C C 13 172.753 . . . . . . . 47 TYR C . 18021 1 222 . 1 1 47 47 TYR CA C 13 54.817 . . . . . . . 47 TYR CA . 18021 1 223 . 1 1 47 47 TYR CB C 13 43.747 . . . . . . . 47 TYR CB . 18021 1 224 . 1 1 47 47 TYR N N 15 125.085 . . . . . . . 47 TYR N . 18021 1 225 . 1 1 48 48 GLY H H 1 7.951 . . . . . . . 48 GLY H . 18021 1 226 . 1 1 48 48 GLY C C 13 173.59 . . . . . . . 48 GLY C . 18021 1 227 . 1 1 48 48 GLY CA C 13 47.52 . . . . . . . 48 GLY CA . 18021 1 228 . 1 1 48 48 GLY N N 15 110.446 . . . . . . . 48 GLY N . 18021 1 229 . 1 1 49 49 GLU H H 1 8.962 . . . . . . . 49 GLU H . 18021 1 230 . 1 1 49 49 GLU C C 13 174.963 . . . . . . . 49 GLU C . 18021 1 231 . 1 1 49 49 GLU CA C 13 57.675 . . . . . . . 49 GLU CA . 18021 1 232 . 1 1 49 49 GLU CB C 13 29.72 . . . . . . . 49 GLU CB . 18021 1 233 . 1 1 49 49 GLU N N 15 127.011 . . . . . . . 49 GLU N . 18021 1 234 . 1 1 50 50 ASN H H 1 7.782 . . . . . . . 50 ASN H . 18021 1 235 . 1 1 50 50 ASN C C 13 174.193 . . . . . . . 50 ASN C . 18021 1 236 . 1 1 50 50 ASN CA C 13 50.638 . . . . . . . 50 ASN CA . 18021 1 237 . 1 1 50 50 ASN CB C 13 40.82 . . . . . . . 50 ASN CB . 18021 1 238 . 1 1 50 50 ASN N N 15 113.766 . . . . . . . 50 ASN N . 18021 1 239 . 1 1 51 51 VAL H H 1 8.733 . . . . . . . 51 VAL H . 18021 1 240 . 1 1 51 51 VAL C C 13 174.813 . . . . . . . 51 VAL C . 18021 1 241 . 1 1 51 51 VAL CA C 13 61.725 . . . . . . . 51 VAL CA . 18021 1 242 . 1 1 51 51 VAL CB C 13 33.615 . . . . . . . 51 VAL CB . 18021 1 243 . 1 1 51 51 VAL N N 15 118.329 . . . . . . . 51 VAL N . 18021 1 244 . 1 1 52 52 THR H H 1 9.149 . . . . . . . 52 THR H . 18021 1 245 . 1 1 52 52 THR C C 13 173.607 . . . . . . . 52 THR C . 18021 1 246 . 1 1 52 52 THR CA C 13 61.471 . . . . . . . 52 THR CA . 18021 1 247 . 1 1 52 52 THR CB C 13 71.571 . . . . . . . 52 THR CB . 18021 1 248 . 1 1 52 52 THR N N 15 122.388 . . . . . . . 52 THR N . 18021 1 249 . 1 1 53 53 HIS H H 1 9.046 . . . . . . . 53 HIS H . 18021 1 250 . 1 1 53 53 HIS C C 13 175.65 . . . . . . . 53 HIS C . 18021 1 251 . 1 1 53 53 HIS CA C 13 56.325 . . . . . . . 53 HIS CA . 18021 1 252 . 1 1 53 53 HIS CB C 13 30.439 . . . . . . . 53 HIS CB . 18021 1 253 . 1 1 53 53 HIS N N 15 126.329 . . . . . . . 53 HIS N . 18021 1 254 . 1 1 54 54 GLU H H 1 8.943 . . . . . . . 54 GLU H . 18021 1 255 . 1 1 54 54 GLU C C 13 178.913 . . . . . . . 54 GLU C . 18021 1 256 . 1 1 54 54 GLU CA C 13 57.755 . . . . . . . 54 GLU CA . 18021 1 257 . 1 1 54 54 GLU CB C 13 27.58 . . . . . . . 54 GLU CB . 18021 1 258 . 1 1 54 54 GLU N N 15 127.752 . . . . . . . 54 GLU N . 18021 1 259 . 1 1 55 55 PHE H H 1 7.249 . . . . . . . 55 PHE H . 18021 1 260 . 1 1 55 55 PHE C C 13 174.277 . . . . . . . 55 PHE C . 18021 1 261 . 1 1 55 55 PHE CA C 13 56.547 . . . . . . . 55 PHE CA . 18021 1 262 . 1 1 55 55 PHE CB C 13 40.348 . . . . . . . 55 PHE CB . 18021 1 263 . 1 1 55 55 PHE N N 15 106.214 . . . . . . . 55 PHE N . 18021 1 264 . 1 1 56 56 ASN H H 1 8.3 . . . . . . . 56 ASN H . 18021 1 265 . 1 1 56 56 ASN C C 13 176.32 . . . . . . . 56 ASN C . 18021 1 266 . 1 1 56 56 ASN CA C 13 51.402 . . . . . . . 56 ASN CA . 18021 1 267 . 1 1 56 56 ASN CB C 13 39.094 . . . . . . . 56 ASN CB . 18021 1 268 . 1 1 56 56 ASN N N 15 119.218 . . . . . . . 56 ASN N . 18021 1 269 . 1 1 57 57 LEU H H 1 9.203 . . . . . . . 57 LEU H . 18021 1 270 . 1 1 57 57 LEU C C 13 176.035 . . . . . . . 57 LEU C . 18021 1 271 . 1 1 57 57 LEU CA C 13 58.273 . . . . . . . 57 LEU CA . 18021 1 272 . 1 1 57 57 LEU CB C 13 43.269 . . . . . . . 57 LEU CB . 18021 1 273 . 1 1 57 57 LEU N N 15 122.872 . . . . . . . 57 LEU N . 18021 1 274 . 1 1 58 58 ASN H H 1 7.401 . . . . . . . 58 ASN H . 18021 1 275 . 1 1 58 58 ASN C C 13 177.04 . . . . . . . 58 ASN C . 18021 1 276 . 1 1 58 58 ASN CA C 13 50.572 . . . . . . . 58 ASN CA . 18021 1 277 . 1 1 58 58 ASN CB C 13 38.289 . . . . . . . 58 ASN CB . 18021 1 278 . 1 1 58 58 ASN N N 15 108.349 . . . . . . . 58 ASN N . 18021 1 279 . 1 1 59 59 LYS H H 1 7.844 . . . . . . . 59 LYS H . 18021 1 280 . 1 1 59 59 LYS C C 13 176.387 . . . . . . . 59 LYS C . 18021 1 281 . 1 1 59 59 LYS CA C 13 58.672 . . . . . . . 59 LYS CA . 18021 1 282 . 1 1 59 59 LYS CB C 13 32.381 . . . . . . . 59 LYS CB . 18021 1 283 . 1 1 59 59 LYS N N 15 121.754 . . . . . . . 59 LYS N . 18021 1 284 . 1 1 60 60 TYR H H 1 8.8 . . . . . . . 60 TYR H . 18021 1 285 . 1 1 60 60 TYR C C 13 176.52 . . . . . . . 60 TYR C . 18021 1 286 . 1 1 60 60 TYR CA C 13 56.405 . . . . . . . 60 TYR CA . 18021 1 287 . 1 1 60 60 TYR CB C 13 40.365 . . . . . . . 60 TYR CB . 18021 1 288 . 1 1 60 60 TYR N N 15 115.513 . . . . . . . 60 TYR N . 18021 1 289 . 1 1 61 61 SER H H 1 8.96 . . . . . . . 61 SER H . 18021 1 290 . 1 1 61 61 SER C C 13 172 . . . . . . . 61 SER C . 18021 1 291 . 1 1 61 61 SER CA C 13 57.04 . . . . . . . 61 SER CA . 18021 1 292 . 1 1 61 61 SER CB C 13 64.02 . . . . . . . 61 SER CB . 18021 1 293 . 1 1 61 61 SER N N 15 114.032 . . . . . . . 61 SER N . 18021 1 294 . 1 1 62 62 SER H H 1 7.306 . . . . . . . 62 SER H . 18021 1 295 . 1 1 62 62 SER C C 13 174.427 . . . . . . . 62 SER C . 18021 1 296 . 1 1 62 62 SER CA C 13 56.614 . . . . . . . 62 SER CA . 18021 1 297 . 1 1 62 62 SER CB C 13 66.572 . . . . . . . 62 SER CB . 18021 1 298 . 1 1 62 62 SER N N 15 111.126 . . . . . . . 62 SER N . 18021 1 299 . 1 1 63 63 THR H H 1 9.268 . . . . . . . 63 THR H . 18021 1 300 . 1 1 63 63 THR C C 13 175.6 . . . . . . . 63 THR C . 18021 1 301 . 1 1 63 63 THR CA C 13 66.938 . . . . . . . 63 THR CA . 18021 1 302 . 1 1 63 63 THR CB C 13 68.713 . . . . . . . 63 THR CB . 18021 1 303 . 1 1 63 63 THR N N 15 120.344 . . . . . . . 63 THR N . 18021 1 304 . 1 1 64 64 GLU H H 1 8.931 . . . . . . . 64 GLU H . 18021 1 305 . 1 1 64 64 GLU C C 13 178.866 . . . . . . . 64 GLU C . 18021 1 306 . 1 1 64 64 GLU CA C 13 60.057 . . . . . . . 64 GLU CA . 18021 1 307 . 1 1 64 64 GLU CB C 13 28.851 . . . . . . . 64 GLU CB . 18021 1 308 . 1 1 64 64 GLU N N 15 119.04 . . . . . . . 64 GLU N . 18021 1 309 . 1 1 65 65 GLU H H 1 7.324 . . . . . . . 65 GLU H . 18021 1 310 . 1 1 65 65 GLU C C 13 179.25 . . . . . . . 65 GLU C . 18021 1 311 . 1 1 65 65 GLU CA C 13 58.672 . . . . . . . 65 GLU CA . 18021 1 312 . 1 1 65 65 GLU CB C 13 30.522 . . . . . . . 65 GLU CB . 18021 1 313 . 1 1 65 65 GLU N N 15 114.615 . . . . . . . 65 GLU N . 18021 1 314 . 1 1 66 66 VAL H H 1 7.361 . . . . . . . 66 VAL H . 18021 1 315 . 1 1 66 66 VAL C C 13 176.688 . . . . . . . 66 VAL C . 18021 1 316 . 1 1 66 66 VAL CA C 13 65.51 . . . . . . . 66 VAL CA . 18021 1 317 . 1 1 66 66 VAL CB C 13 30.787 . . . . . . . 66 VAL CB . 18021 1 318 . 1 1 66 66 VAL N N 15 118.793 . . . . . . . 66 VAL N . 18021 1 319 . 1 1 67 67 LEU H H 1 8.09 . . . . . . . 67 LEU H . 18021 1 320 . 1 1 67 67 LEU C C 13 180.12 . . . . . . . 67 LEU C . 18021 1 321 . 1 1 67 67 LEU CA C 13 57.609 . . . . . . . 67 LEU CA . 18021 1 322 . 1 1 67 67 LEU CB C 13 40.414 . . . . . . . 67 LEU CB . 18021 1 323 . 1 1 67 67 LEU N N 15 118.862 . . . . . . . 67 LEU N . 18021 1 324 . 1 1 68 68 VAL H H 1 7.101 . . . . . . . 68 VAL H . 18021 1 325 . 1 1 68 68 VAL C C 13 178.212 . . . . . . . 68 VAL C . 18021 1 326 . 1 1 68 68 VAL CA C 13 65.776 . . . . . . . 68 VAL CA . 18021 1 327 . 1 1 68 68 VAL CB C 13 31.517 . . . . . . . 68 VAL CB . 18021 1 328 . 1 1 68 68 VAL N N 15 117.393 . . . . . . . 68 VAL N . 18021 1 329 . 1 1 69 69 ALA H H 1 6.929 . . . . . . . 69 ALA H . 18021 1 330 . 1 1 69 69 ALA C C 13 181.678 . . . . . . . 69 ALA C . 18021 1 331 . 1 1 69 69 ALA CA C 13 54.555 . . . . . . . 69 ALA CA . 18021 1 332 . 1 1 69 69 ALA CB C 13 19.501 . . . . . . . 69 ALA CB . 18021 1 333 . 1 1 69 69 ALA N N 15 119.642 . . . . . . . 69 ALA N . 18021 1 334 . 1 1 70 70 ALA H H 1 8.92 . . . . . . . 70 ALA H . 18021 1 335 . 1 1 70 70 ALA C C 13 178.25 . . . . . . . 70 ALA C . 18021 1 336 . 1 1 70 70 ALA CA C 13 54.755 . . . . . . . 70 ALA CA . 18021 1 337 . 1 1 70 70 ALA CB C 13 17.098 . . . . . . . 70 ALA CB . 18021 1 338 . 1 1 70 70 ALA N N 15 120.492 . . . . . . . 70 ALA N . 18021 1 339 . 1 1 71 71 LYS H H 1 7.073 . . . . . . . 71 LYS H . 18021 1 340 . 1 1 71 71 LYS C C 13 177.63 . . . . . . . 71 LYS C . 18021 1 341 . 1 1 71 71 LYS CA C 13 57.925 . . . . . . . 71 LYS CA . 18021 1 342 . 1 1 71 71 LYS CB C 13 32.196 . . . . . . . 71 LYS CB . 18021 1 343 . 1 1 71 71 LYS N N 15 111.32 . . . . . . . 71 LYS N . 18021 1 344 . 1 1 72 72 LYS H H 1 7.256 . . . . . . . 72 LYS H . 18021 1 345 . 1 1 72 72 LYS C C 13 176.839 . . . . . . . 72 LYS C . 18021 1 346 . 1 1 72 72 LYS CA C 13 55.485 . . . . . . . 72 LYS CA . 18021 1 347 . 1 1 72 72 LYS CB C 13 32.845 . . . . . . . 72 LYS CB . 18021 1 348 . 1 1 72 72 LYS N N 15 115.029 . . . . . . . 72 LYS N . 18021 1 349 . 1 1 73 73 ILE H H 1 7.118 . . . . . . . 73 ILE H . 18021 1 350 . 1 1 73 73 ILE C C 13 176.922 . . . . . . . 73 ILE C . 18021 1 351 . 1 1 73 73 ILE CA C 13 62.788 . . . . . . . 73 ILE CA . 18021 1 352 . 1 1 73 73 ILE CB C 13 37.294 . . . . . . . 73 ILE CB . 18021 1 353 . 1 1 73 73 ILE N N 15 120.308 . . . . . . . 73 ILE N . 18021 1 354 . 1 1 74 74 VAL H H 1 8.532 . . . . . . . 74 VAL H . 18021 1 355 . 1 1 74 74 VAL C C 13 173.641 . . . . . . . 74 VAL C . 18021 1 356 . 1 1 74 74 VAL CA C 13 59.82 . . . . . . . 74 VAL CA . 18021 1 357 . 1 1 74 74 VAL CB C 13 33.044 . . . . . . . 74 VAL CB . 18021 1 358 . 1 1 74 74 VAL N N 15 128.226 . . . . . . . 74 VAL N . 18021 1 359 . 1 1 75 75 GLN H H 1 7.647 . . . . . . . 75 GLN H . 18021 1 360 . 1 1 75 75 GLN C C 13 177.123 . . . . . . . 75 GLN C . 18021 1 361 . 1 1 75 75 GLN CA C 13 54.887 . . . . . . . 75 GLN CA . 18021 1 362 . 1 1 75 75 GLN CB C 13 27.136 . . . . . . . 75 GLN CB . 18021 1 363 . 1 1 75 75 GLN N N 15 123.43 . . . . . . . 75 GLN N . 18021 1 364 . 1 1 76 76 ARG H H 1 9.529 . . . . . . . 76 ARG H . 18021 1 365 . 1 1 76 76 ARG C C 13 178.094 . . . . . . . 76 ARG C . 18021 1 366 . 1 1 76 76 ARG CA C 13 57.675 . . . . . . . 76 ARG CA . 18021 1 367 . 1 1 76 76 ARG CB C 13 29.248 . . . . . . . 76 ARG CB . 18021 1 368 . 1 1 76 76 ARG N N 15 129.381 . . . . . . . 76 ARG N . 18021 1 369 . 1 1 77 77 GLY H H 1 7.694 . . . . . . . 77 GLY H . 18021 1 370 . 1 1 77 77 GLY C C 13 174.038 . . . . . . . 77 GLY C . 18021 1 371 . 1 1 77 77 GLY CA C 13 45.393 . . . . . . . 77 GLY CA . 18021 1 372 . 1 1 77 77 GLY N N 15 107.02 . . . . . . . 77 GLY N . 18021 1 373 . 1 1 78 78 GLY H H 1 7.885 . . . . . . . 78 GLY H . 18021 1 374 . 1 1 78 78 GLY CA C 13 44.929 . . . . . . . 78 GLY CA . 18021 1 375 . 1 1 78 78 GLY N N 15 105.709 . . . . . . . 78 GLY N . 18021 1 376 . 1 1 80 80 GLN CA C 13 54.56 . . . . . . . 80 GLN CA . 18021 1 377 . 1 1 80 80 GLN CB C 13 31.319 . . . . . . . 80 GLN CB . 18021 1 378 . 1 1 81 81 THR H H 1 10.126 . . . . . . . 81 THR H . 18021 1 379 . 1 1 81 81 THR CA C 13 61.316 . . . . . . . 81 THR CA . 18021 1 380 . 1 1 81 81 THR CB C 13 69.407 . . . . . . . 81 THR CB . 18021 1 381 . 1 1 81 81 THR N N 15 121.204 . . . . . . . 81 THR N . 18021 1 382 . 1 1 82 82 MET H H 1 8.42 . . . . . . . 82 MET H . 18021 1 383 . 1 1 82 82 MET C C 13 174.779 . . . . . . . 82 MET C . 18021 1 384 . 1 1 82 82 MET CA C 13 52.276 . . . . . . . 82 MET CA . 18021 1 385 . 1 1 82 82 MET CB C 13 27.977 . . . . . . . 82 MET CB . 18021 1 386 . 1 1 82 82 MET N N 15 129.026 . . . . . . . 82 MET N . 18021 1 387 . 1 1 83 83 THR H H 1 7.393 . . . . . . . 83 THR H . 18021 1 388 . 1 1 83 83 THR C C 13 175.867 . . . . . . . 83 THR C . 18021 1 389 . 1 1 83 83 THR CA C 13 65.51 . . . . . . . 83 THR CA . 18021 1 390 . 1 1 83 83 THR CB C 13 68.498 . . . . . . . 83 THR CB . 18021 1 391 . 1 1 83 83 THR N N 15 118.549 . . . . . . . 83 THR N . 18021 1 392 . 1 1 84 84 ALA H H 1 10.153 . . . . . . . 84 ALA H . 18021 1 393 . 1 1 84 84 ALA C C 13 179.408 . . . . . . . 84 ALA C . 18021 1 394 . 1 1 84 84 ALA CA C 13 56.166 . . . . . . . 84 ALA CA . 18021 1 395 . 1 1 84 84 ALA CB C 13 16.225 . . . . . . . 84 ALA CB . 18021 1 396 . 1 1 84 84 ALA N N 15 125.422 . . . . . . . 84 ALA N . 18021 1 397 . 1 1 85 85 LEU H H 1 8.8 . . . . . . . 85 LEU H . 18021 1 398 . 1 1 85 85 LEU C C 13 181.292 . . . . . . . 85 LEU C . 18021 1 399 . 1 1 85 85 LEU CA C 13 57.516 . . . . . . . 85 LEU CA . 18021 1 400 . 1 1 85 85 LEU CB C 13 40.92 . . . . . . . 85 LEU CB . 18021 1 401 . 1 1 85 85 LEU N N 15 120.907 . . . . . . . 85 LEU N . 18021 1 402 . 1 1 86 86 GLY H H 1 8.607 . . . . . . . 86 GLY H . 18021 1 403 . 1 1 86 86 GLY C C 13 174.059 . . . . . . . 86 GLY C . 18021 1 404 . 1 1 86 86 GLY CA C 13 46.955 . . . . . . . 86 GLY CA . 18021 1 405 . 1 1 86 86 GLY N N 15 109.854 . . . . . . . 86 GLY N . 18021 1 406 . 1 1 87 87 ILE H H 1 8.277 . . . . . . . 87 ILE H . 18021 1 407 . 1 1 87 87 ILE C C 13 177.76 . . . . . . . 87 ILE C . 18021 1 408 . 1 1 87 87 ILE CA C 13 65.695 . . . . . . . 87 ILE CA . 18021 1 409 . 1 1 87 87 ILE CB C 13 38.3 . . . . . . . 87 ILE CB . 18021 1 410 . 1 1 87 87 ILE N N 15 120.492 . . . . . . . 87 ILE N . 18021 1 411 . 1 1 88 88 ASP H H 1 8.906 . . . . . . . 88 ASP H . 18021 1 412 . 1 1 88 88 ASP C C 13 178.932 . . . . . . . 88 ASP C . 18021 1 413 . 1 1 88 88 ASP CA C 13 56.961 . . . . . . . 88 ASP CA . 18021 1 414 . 1 1 88 88 ASP CB C 13 42.27 . . . . . . . 88 ASP CB . 18021 1 415 . 1 1 88 88 ASP N N 15 118.743 . . . . . . . 88 ASP N . 18021 1 416 . 1 1 89 89 THR H H 1 8.463 . . . . . . . 89 THR H . 18021 1 417 . 1 1 89 89 THR C C 13 176.889 . . . . . . . 89 THR C . 18021 1 418 . 1 1 89 89 THR CA C 13 66.904 . . . . . . . 89 THR CA . 18021 1 419 . 1 1 89 89 THR CB C 13 67.701 . . . . . . . 89 THR CB . 18021 1 420 . 1 1 89 89 THR N N 15 112.673 . . . . . . . 89 THR N . 18021 1 421 . 1 1 90 90 ALA H H 1 8.19 . . . . . . . 90 ALA H . 18021 1 422 . 1 1 90 90 ALA C C 13 178.295 . . . . . . . 90 ALA C . 18021 1 423 . 1 1 90 90 ALA CA C 13 55.214 . . . . . . . 90 ALA CA . 18021 1 424 . 1 1 90 90 ALA CB C 13 17.972 . . . . . . . 90 ALA CB . 18021 1 425 . 1 1 90 90 ALA N N 15 125.411 . . . . . . . 90 ALA N . 18021 1 426 . 1 1 91 91 ARG H H 1 8.532 . . . . . . . 91 ARG H . 18021 1 427 . 1 1 91 91 ARG C C 13 177.324 . . . . . . . 91 ARG C . 18021 1 428 . 1 1 91 91 ARG CA C 13 60.375 . . . . . . . 91 ARG CA . 18021 1 429 . 1 1 91 91 ARG CB C 13 29.645 . . . . . . . 91 ARG CB . 18021 1 430 . 1 1 91 91 ARG N N 15 116.551 . . . . . . . 91 ARG N . 18021 1 431 . 1 1 92 92 LYS H H 1 8.525 . . . . . . . 92 LYS H . 18021 1 432 . 1 1 92 92 LYS C C 13 177.056 . . . . . . . 92 LYS C . 18021 1 433 . 1 1 92 92 LYS CA C 13 58.072 . . . . . . . 92 LYS CA . 18021 1 434 . 1 1 92 92 LYS CB C 13 33.536 . . . . . . . 92 LYS CB . 18021 1 435 . 1 1 92 92 LYS N N 15 113.024 . . . . . . . 92 LYS N . 18021 1 436 . 1 1 93 93 GLU H H 1 8.454 . . . . . . . 93 GLU H . 18021 1 437 . 1 1 93 93 GLU C C 13 177.642 . . . . . . . 93 GLU C . 18021 1 438 . 1 1 93 93 GLU CA C 13 56.72 . . . . . . . 93 GLU CA . 18021 1 439 . 1 1 93 93 GLU CB C 13 32.106 . . . . . . . 93 GLU CB . 18021 1 440 . 1 1 93 93 GLU N N 15 112.55 . . . . . . . 93 GLU N . 18021 1 441 . 1 1 94 94 ALA H H 1 8.062 . . . . . . . 94 ALA H . 18021 1 442 . 1 1 94 94 ALA C C 13 178.346 . . . . . . . 94 ALA C . 18021 1 443 . 1 1 94 94 ALA CA C 13 55.122 . . . . . . . 94 ALA CA . 18021 1 444 . 1 1 94 94 ALA CB C 13 19.084 . . . . . . . 94 ALA CB . 18021 1 445 . 1 1 94 94 ALA N N 15 121.025 . . . . . . . 94 ALA N . 18021 1 446 . 1 1 95 95 PHE H H 1 7.161 . . . . . . . 95 PHE H . 18021 1 447 . 1 1 95 95 PHE C C 13 175.335 . . . . . . . 95 PHE C . 18021 1 448 . 1 1 95 95 PHE CA C 13 57.41 . . . . . . . 95 PHE CA . 18021 1 449 . 1 1 95 95 PHE CB C 13 36.696 . . . . . . . 95 PHE CB . 18021 1 450 . 1 1 95 95 PHE N N 15 112.504 . . . . . . . 95 PHE N . 18021 1 451 . 1 1 96 96 THR H H 1 7.104 . . . . . . . 96 THR H . 18021 1 452 . 1 1 96 96 THR C C 13 176.487 . . . . . . . 96 THR C . 18021 1 453 . 1 1 96 96 THR CA C 13 59.136 . . . . . . . 96 THR CA . 18021 1 454 . 1 1 96 96 THR CB C 13 72.149 . . . . . . . 96 THR CB . 18021 1 455 . 1 1 96 96 THR N N 15 106.035 . . . . . . . 96 THR N . 18021 1 456 . 1 1 98 98 ALA C C 13 179.253 . . . . . . . 98 ALA C . 18021 1 457 . 1 1 98 98 ALA CA C 13 54.547 . . . . . . . 98 ALA CA . 18021 1 458 . 1 1 98 98 ALA CB C 13 17.902 . . . . . . . 98 ALA CB . 18021 1 459 . 1 1 99 99 ARG H H 1 7.118 . . . . . . . 99 ARG H . 18021 1 460 . 1 1 99 99 ARG C C 13 174.003 . . . . . . . 99 ARG C . 18021 1 461 . 1 1 99 99 ARG CA C 13 56.414 . . . . . . . 99 ARG CA . 18021 1 462 . 1 1 99 99 ARG CB C 13 29.327 . . . . . . . 99 ARG CB . 18021 1 463 . 1 1 99 99 ARG N N 15 114.386 . . . . . . . 99 ARG N . 18021 1 464 . 1 1 100 100 GLY H H 1 7.55 . . . . . . . 100 GLY H . 18021 1 465 . 1 1 100 100 GLY C C 13 174.026 . . . . . . . 100 GLY C . 18021 1 466 . 1 1 100 100 GLY CA C 13 45.261 . . . . . . . 100 GLY CA . 18021 1 467 . 1 1 100 100 GLY N N 15 102.303 . . . . . . . 100 GLY N . 18021 1 468 . 1 1 101 101 ALA H H 1 7.87 . . . . . . . 101 ALA H . 18021 1 469 . 1 1 101 101 ALA C C 13 178.044 . . . . . . . 101 ALA C . 18021 1 470 . 1 1 101 101 ALA CA C 13 52.63 . . . . . . . 101 ALA CA . 18021 1 471 . 1 1 101 101 ALA CB C 13 17.642 . . . . . . . 101 ALA CB . 18021 1 472 . 1 1 101 101 ALA N N 15 123.476 . . . . . . . 101 ALA N . 18021 1 473 . 1 1 102 102 ARG H H 1 9.46 . . . . . . . 102 ARG H . 18021 1 474 . 1 1 102 102 ARG C C 13 176.604 . . . . . . . 102 ARG C . 18021 1 475 . 1 1 102 102 ARG CA C 13 54.737 . . . . . . . 102 ARG CA . 18021 1 476 . 1 1 102 102 ARG CB C 13 31.947 . . . . . . . 102 ARG CB . 18021 1 477 . 1 1 102 102 ARG N N 15 124.759 . . . . . . . 102 ARG N . 18021 1 478 . 1 1 103 103 ARG H H 1 8.623 . . . . . . . 103 ARG H . 18021 1 479 . 1 1 103 103 ARG C C 13 178.212 . . . . . . . 103 ARG C . 18021 1 480 . 1 1 103 103 ARG CA C 13 57.119 . . . . . . . 103 ARG CA . 18021 1 481 . 1 1 103 103 ARG CB C 13 29.406 . . . . . . . 103 ARG CB . 18021 1 482 . 1 1 103 103 ARG N N 15 123.781 . . . . . . . 103 ARG N . 18021 1 483 . 1 1 104 104 GLY C C 13 174.26 . . . . . . . 104 GLY C . 18021 1 484 . 1 1 104 104 GLY CA C 13 45.46 . . . . . . . 104 GLY CA . 18021 1 485 . 1 1 105 105 VAL H H 1 7.269 . . . . . . . 105 VAL H . 18021 1 486 . 1 1 105 105 VAL C C 13 175.834 . . . . . . . 105 VAL C . 18021 1 487 . 1 1 105 105 VAL CA C 13 60.863 . . . . . . . 105 VAL CA . 18021 1 488 . 1 1 105 105 VAL CB C 13 31.517 . . . . . . . 105 VAL CB . 18021 1 489 . 1 1 105 105 VAL N N 15 117.668 . . . . . . . 105 VAL N . 18021 1 490 . 1 1 106 106 LYS H H 1 8.26 . . . . . . . 106 LYS H . 18021 1 491 . 1 1 106 106 LYS C C 13 174.076 . . . . . . . 106 LYS C . 18021 1 492 . 1 1 106 106 LYS CA C 13 57.278 . . . . . . . 106 LYS CA . 18021 1 493 . 1 1 106 106 LYS CB C 13 32.821 . . . . . . . 106 LYS CB . 18021 1 494 . 1 1 106 106 LYS N N 15 127.455 . . . . . . . 106 LYS N . 18021 1 495 . 1 1 107 107 LYS H H 1 8.418 . . . . . . . 107 LYS H . 18021 1 496 . 1 1 107 107 LYS C C 13 176.253 . . . . . . . 107 LYS C . 18021 1 497 . 1 1 107 107 LYS CA C 13 54.975 . . . . . . . 107 LYS CA . 18021 1 498 . 1 1 107 107 LYS CB C 13 34.647 . . . . . . . 107 LYS CB . 18021 1 499 . 1 1 107 107 LYS N N 15 123.929 . . . . . . . 107 LYS N . 18021 1 500 . 1 1 108 108 VAL H H 1 9.019 . . . . . . . 108 VAL H . 18021 1 501 . 1 1 108 108 VAL C C 13 173.858 . . . . . . . 108 VAL C . 18021 1 502 . 1 1 108 108 VAL CA C 13 60.132 . . . . . . . 108 VAL CA . 18021 1 503 . 1 1 108 108 VAL CB C 13 36.165 . . . . . . . 108 VAL CB . 18021 1 504 . 1 1 108 108 VAL N N 15 122.645 . . . . . . . 108 VAL N . 18021 1 505 . 1 1 109 109 MET H H 1 9.777 . . . . . . . 109 MET H . 18021 1 506 . 1 1 109 109 MET C C 13 175.081 . . . . . . . 109 MET C . 18021 1 507 . 1 1 109 109 MET CA C 13 53.159 . . . . . . . 109 MET CA . 18021 1 508 . 1 1 109 109 MET CB C 13 38.697 . . . . . . . 109 MET CB . 18021 1 509 . 1 1 109 109 MET N N 15 126.196 . . . . . . . 109 MET N . 18021 1 510 . 1 1 110 110 VAL H H 1 8.587 . . . . . . . 110 VAL H . 18021 1 511 . 1 1 110 110 VAL C C 13 174.109 . . . . . . . 110 VAL C . 18021 1 512 . 1 1 110 110 VAL CA C 13 60.534 . . . . . . . 110 VAL CA . 18021 1 513 . 1 1 110 110 VAL CB C 13 33.615 . . . . . . . 110 VAL CB . 18021 1 514 . 1 1 110 110 VAL N N 15 124.611 . . . . . . . 110 VAL N . 18021 1 515 . 1 1 111 111 ILE H H 1 9.323 . . . . . . . 111 ILE H . 18021 1 516 . 1 1 111 111 ILE C C 13 173.992 . . . . . . . 111 ILE C . 18021 1 517 . 1 1 111 111 ILE CA C 13 60.931 . . . . . . . 111 ILE CA . 18021 1 518 . 1 1 111 111 ILE CB C 13 41.079 . . . . . . . 111 ILE CB . 18021 1 519 . 1 1 111 111 ILE N N 15 128.374 . . . . . . . 111 ILE N . 18021 1 520 . 1 1 112 112 VAL H H 1 8.831 . . . . . . . 112 VAL H . 18021 1 521 . 1 1 112 112 VAL C C 13 174.143 . . . . . . . 112 VAL C . 18021 1 522 . 1 1 112 112 VAL CA C 13 60.613 . . . . . . . 112 VAL CA . 18021 1 523 . 1 1 112 112 VAL CB C 13 33.218 . . . . . . . 112 VAL CB . 18021 1 524 . 1 1 112 112 VAL N N 15 127.485 . . . . . . . 112 VAL N . 18021 1 525 . 1 1 113 113 THR H H 1 8.669 . . . . . . . 113 THR H . 18021 1 526 . 1 1 113 113 THR C C 13 171.57 . . . . . . . 113 THR C . 18021 1 527 . 1 1 113 113 THR CA C 13 59.819 . . . . . . . 113 THR CA . 18021 1 528 . 1 1 113 113 THR CB C 13 69.189 . . . . . . . 113 THR CB . 18021 1 529 . 1 1 113 113 THR N N 15 118.003 . . . . . . . 113 THR N . 18021 1 530 . 1 1 114 114 ASP C C 13 177.132 . . . . . . . 114 ASP C . 18021 1 531 . 1 1 114 114 ASP CA C 13 51.458 . . . . . . . 114 ASP CA . 18021 1 532 . 1 1 114 114 ASP CB C 13 44.22 . . . . . . . 114 ASP CB . 18021 1 533 . 1 1 115 115 GLY H H 1 7.893 . . . . . . . 115 GLY H . 18021 1 534 . 1 1 115 115 GLY C C 13 170.834 . . . . . . . 115 GLY C . 18021 1 535 . 1 1 115 115 GLY CA C 13 45.783 . . . . . . . 115 GLY CA . 18021 1 536 . 1 1 115 115 GLY N N 15 111.861 . . . . . . . 115 GLY N . 18021 1 537 . 1 1 116 116 GLU H H 1 6.971 . . . . . . . 116 GLU H . 18021 1 538 . 1 1 116 116 GLU C C 13 176.638 . . . . . . . 116 GLU C . 18021 1 539 . 1 1 116 116 GLU CA C 13 56.149 . . . . . . . 116 GLU CA . 18021 1 540 . 1 1 116 116 GLU CB C 13 31.318 . . . . . . . 116 GLU CB . 18021 1 541 . 1 1 116 116 GLU N N 15 116.531 . . . . . . . 116 GLU N . 18021 1 542 . 1 1 117 117 SER H H 1 10.492 . . . . . . . 117 SER H . 18021 1 543 . 1 1 117 117 SER C C 13 177.227 . . . . . . . 117 SER C . 18021 1 544 . 1 1 117 117 SER CA C 13 58.707 . . . . . . . 117 SER CA . 18021 1 545 . 1 1 117 117 SER CB C 13 64.822 . . . . . . . 117 SER CB . 18021 1 546 . 1 1 117 117 SER N N 15 119.621 . . . . . . . 117 SER N . 18021 1 547 . 1 1 118 118 HIS H H 1 9.193 . . . . . . . 118 HIS H . 18021 1 548 . 1 1 118 118 HIS C C 13 175.918 . . . . . . . 118 HIS C . 18021 1 549 . 1 1 118 118 HIS CA C 13 58.738 . . . . . . . 118 HIS CA . 18021 1 550 . 1 1 118 118 HIS CB C 13 31.451 . . . . . . . 118 HIS CB . 18021 1 551 . 1 1 118 118 HIS N N 15 121.445 . . . . . . . 118 HIS N . 18021 1 552 . 1 1 119 119 ASP H H 1 8.704 . . . . . . . 119 ASP H . 18021 1 553 . 1 1 119 119 ASP C C 13 176.135 . . . . . . . 119 ASP C . 18021 1 554 . 1 1 119 119 ASP CA C 13 51.323 . . . . . . . 119 ASP CA . 18021 1 555 . 1 1 119 119 ASP CB C 13 38.538 . . . . . . . 119 ASP CB . 18021 1 556 . 1 1 119 119 ASP N N 15 119.721 . . . . . . . 119 ASP N . 18021 1 557 . 1 1 120 120 ASN H H 1 7.394 . . . . . . . 120 ASN H . 18021 1 558 . 1 1 120 120 ASN C C 13 177.111 . . . . . . . 120 ASN C . 18021 1 559 . 1 1 120 120 ASN CA C 13 56.547 . . . . . . . 120 ASN CA . 18021 1 560 . 1 1 120 120 ASN CB C 13 38.489 . . . . . . . 120 ASN CB . 18021 1 561 . 1 1 120 120 ASN N N 15 115.511 . . . . . . . 120 ASN N . 18021 1 562 . 1 1 121 121 HIS C C 13 176.498 . . . . . . . 121 HIS C . 18021 1 563 . 1 1 121 121 HIS CA C 13 57.97 . . . . . . . 121 HIS CA . 18021 1 564 . 1 1 121 121 HIS CB C 13 29.027 . . . . . . . 121 HIS CB . 18021 1 565 . 1 1 122 122 ARG H H 1 7.316 . . . . . . . 122 ARG H . 18021 1 566 . 1 1 122 122 ARG C C 13 176.571 . . . . . . . 122 ARG C . 18021 1 567 . 1 1 122 122 ARG CA C 13 55.485 . . . . . . . 122 ARG CA . 18021 1 568 . 1 1 122 122 ARG CB C 13 31.12 . . . . . . . 122 ARG CB . 18021 1 569 . 1 1 122 122 ARG N N 15 117.622 . . . . . . . 122 ARG N . 18021 1 570 . 1 1 123 123 LEU H H 1 7.267 . . . . . . . 123 LEU H . 18021 1 571 . 1 1 123 123 LEU C C 13 177.073 . . . . . . . 123 LEU C . 18021 1 572 . 1 1 123 123 LEU CA C 13 58.406 . . . . . . . 123 LEU CA . 18021 1 573 . 1 1 123 123 LEU CB C 13 41.875 . . . . . . . 123 LEU CB . 18021 1 574 . 1 1 123 123 LEU N N 15 119.137 . . . . . . . 123 LEU N . 18021 1 575 . 1 1 124 124 LYS H H 1 8.446 . . . . . . . 124 LYS H . 18021 1 576 . 1 1 124 124 LYS C C 13 179.333 . . . . . . . 124 LYS C . 18021 1 577 . 1 1 124 124 LYS CA C 13 60.216 . . . . . . . 124 LYS CA . 18021 1 578 . 1 1 124 124 LYS CB C 13 31.312 . . . . . . . 124 LYS CB . 18021 1 579 . 1 1 124 124 LYS N N 15 116.728 . . . . . . . 124 LYS N . 18021 1 580 . 1 1 125 125 LYS H H 1 7.847 . . . . . . . 125 LYS H . 18021 1 581 . 1 1 125 125 LYS C C 13 177.374 . . . . . . . 125 LYS C . 18021 1 582 . 1 1 125 125 LYS CA C 13 58.141 . . . . . . . 125 LYS CA . 18021 1 583 . 1 1 125 125 LYS CB C 13 32.049 . . . . . . . 125 LYS CB . 18021 1 584 . 1 1 125 125 LYS N N 15 119.642 . . . . . . . 125 LYS N . 18021 1 585 . 1 1 126 126 VAL H H 1 7.778 . . . . . . . 126 VAL H . 18021 1 586 . 1 1 126 126 VAL C C 13 179.735 . . . . . . . 126 VAL C . 18021 1 587 . 1 1 126 126 VAL CA C 13 65.842 . . . . . . . 126 VAL CA . 18021 1 588 . 1 1 126 126 VAL CB C 13 31.453 . . . . . . . 126 VAL CB . 18021 1 589 . 1 1 126 126 VAL N N 15 117.645 . . . . . . . 126 VAL N . 18021 1 590 . 1 1 127 127 ILE H H 1 8.723 . . . . . . . 127 ILE H . 18021 1 591 . 1 1 127 127 ILE C C 13 177.86 . . . . . . . 127 ILE C . 18021 1 592 . 1 1 127 127 ILE CA C 13 63.631 . . . . . . . 127 ILE CA . 18021 1 593 . 1 1 127 127 ILE CB C 13 35.124 . . . . . . . 127 ILE CB . 18021 1 594 . 1 1 127 127 ILE N N 15 119.958 . . . . . . . 127 ILE N . 18021 1 595 . 1 1 128 128 GLN H H 1 7.964 . . . . . . . 128 GLN H . 18021 1 596 . 1 1 128 128 GLN C C 13 178.346 . . . . . . . 128 GLN C . 18021 1 597 . 1 1 128 128 GLN CA C 13 58.406 . . . . . . . 128 GLN CA . 18021 1 598 . 1 1 128 128 GLN CB C 13 27.534 . . . . . . . 128 GLN CB . 18021 1 599 . 1 1 128 128 GLN N N 15 121.084 . . . . . . . 128 GLN N . 18021 1 600 . 1 1 129 129 ASP H H 1 8.6 . . . . . . . 129 ASP H . 18021 1 601 . 1 1 129 129 ASP C C 13 179.534 . . . . . . . 129 ASP C . 18021 1 602 . 1 1 129 129 ASP CA C 13 57.596 . . . . . . . 129 ASP CA . 18021 1 603 . 1 1 129 129 ASP CB C 13 39.253 . . . . . . . 129 ASP CB . 18021 1 604 . 1 1 129 129 ASP N N 15 119.188 . . . . . . . 129 ASP N . 18021 1 605 . 1 1 130 130 CYS H H 1 7.697 . . . . . . . 130 CYS H . 18021 1 606 . 1 1 130 130 CYS C C 13 176.855 . . . . . . . 130 CYS C . 18021 1 607 . 1 1 130 130 CYS CA C 13 64.116 . . . . . . . 130 CYS CA . 18021 1 608 . 1 1 130 130 CYS CB C 13 27.136 . . . . . . . 130 CYS CB . 18021 1 609 . 1 1 130 130 CYS N N 15 115.488 . . . . . . . 130 CYS N . 18021 1 610 . 1 1 131 131 GLU H H 1 8.583 . . . . . . . 131 GLU H . 18021 1 611 . 1 1 131 131 GLU C C 13 175.332 . . . . . . . 131 GLU C . 18021 1 612 . 1 1 131 131 GLU CA C 13 58.707 . . . . . . . 131 GLU CA . 18021 1 613 . 1 1 131 131 GLU CB C 13 28.692 . . . . . . . 131 GLU CB . 18021 1 614 . 1 1 131 131 GLU N N 15 122.922 . . . . . . . 131 GLU N . 18021 1 615 . 1 1 132 132 ASP H H 1 8.89 . . . . . . . 132 ASP H . 18021 1 616 . 1 1 132 132 ASP C C 13 177.726 . . . . . . . 132 ASP C . 18021 1 617 . 1 1 132 132 ASP CA C 13 56.614 . . . . . . . 132 ASP CA . 18021 1 618 . 1 1 132 132 ASP CB C 13 39.883 . . . . . . . 132 ASP CB . 18021 1 619 . 1 1 132 132 ASP N N 15 121.076 . . . . . . . 132 ASP N . 18021 1 620 . 1 1 133 133 GLU H H 1 7.109 . . . . . . . 133 GLU H . 18021 1 621 . 1 1 133 133 GLU C C 13 174.829 . . . . . . . 133 GLU C . 18021 1 622 . 1 1 133 133 GLU CA C 13 55.817 . . . . . . . 133 GLU CA . 18021 1 623 . 1 1 133 133 GLU CB C 13 29.459 . . . . . . . 133 GLU CB . 18021 1 624 . 1 1 133 133 GLU N N 15 116.452 . . . . . . . 133 GLU N . 18021 1 625 . 1 1 134 134 ASN H H 1 8.069 . . . . . . . 134 ASN H . 18021 1 626 . 1 1 134 134 ASN C C 13 174.645 . . . . . . . 134 ASN C . 18021 1 627 . 1 1 134 134 ASN CA C 13 53.924 . . . . . . . 134 ASN CA . 18021 1 628 . 1 1 134 134 ASN CB C 13 36.496 . . . . . . . 134 ASN CB . 18021 1 629 . 1 1 134 134 ASN N N 15 113.884 . . . . . . . 134 ASN N . 18021 1 630 . 1 1 135 135 ILE H H 1 7.721 . . . . . . . 135 ILE H . 18021 1 631 . 1 1 135 135 ILE C C 13 175.197 . . . . . . . 135 ILE C . 18021 1 632 . 1 1 135 135 ILE CA C 13 61.062 . . . . . . . 135 ILE CA . 18021 1 633 . 1 1 135 135 ILE CB C 13 38.625 . . . . . . . 135 ILE CB . 18021 1 634 . 1 1 135 135 ILE N N 15 118.4 . . . . . . . 135 ILE N . 18021 1 635 . 1 1 136 136 GLN H H 1 8.163 . . . . . . . 136 GLN H . 18021 1 636 . 1 1 136 136 GLN C C 13 175.114 . . . . . . . 136 GLN C . 18021 1 637 . 1 1 136 136 GLN CA C 13 55.553 . . . . . . . 136 GLN CA . 18021 1 638 . 1 1 136 136 GLN CB C 13 29.029 . . . . . . . 136 GLN CB . 18021 1 639 . 1 1 136 136 GLN N N 15 131.329 . . . . . . . 136 GLN N . 18021 1 640 . 1 1 137 137 ARG H H 1 9.209 . . . . . . . 137 ARG H . 18021 1 641 . 1 1 137 137 ARG C C 13 175.667 . . . . . . . 137 ARG C . 18021 1 642 . 1 1 137 137 ARG CA C 13 54.499 . . . . . . . 137 ARG CA . 18021 1 643 . 1 1 137 137 ARG CB C 13 30.677 . . . . . . . 137 ARG CB . 18021 1 644 . 1 1 137 137 ARG N N 15 124.048 . . . . . . . 137 ARG N . 18021 1 645 . 1 1 138 138 PHE H H 1 9.216 . . . . . . . 138 PHE H . 18021 1 646 . 1 1 138 138 PHE C C 13 175.533 . . . . . . . 138 PHE C . 18021 1 647 . 1 1 138 138 PHE CA C 13 56.405 . . . . . . . 138 PHE CA . 18021 1 648 . 1 1 138 138 PHE CB C 13 41.714 . . . . . . . 138 PHE CB . 18021 1 649 . 1 1 138 138 PHE N N 15 121.944 . . . . . . . 138 PHE N . 18021 1 650 . 1 1 139 139 SER H H 1 9.677 . . . . . . . 139 SER H . 18021 1 651 . 1 1 139 139 SER C C 13 171.665 . . . . . . . 139 SER C . 18021 1 652 . 1 1 139 139 SER CA C 13 55.372 . . . . . . . 139 SER CA . 18021 1 653 . 1 1 139 139 SER CB C 13 66.807 . . . . . . . 139 SER CB . 18021 1 654 . 1 1 139 139 SER N N 15 116.99 . . . . . . . 139 SER N . 18021 1 655 . 1 1 140 140 ILE H H 1 9.015 . . . . . . . 140 ILE H . 18021 1 656 . 1 1 140 140 ILE C C 13 173.959 . . . . . . . 140 ILE C . 18021 1 657 . 1 1 140 140 ILE CA C 13 59.66 . . . . . . . 140 ILE CA . 18021 1 658 . 1 1 140 140 ILE CB C 13 40.682 . . . . . . . 140 ILE CB . 18021 1 659 . 1 1 140 140 ILE N N 15 122.181 . . . . . . . 140 ILE N . 18021 1 660 . 1 1 141 141 ALA H H 1 8.454 . . . . . . . 141 ALA H . 18021 1 661 . 1 1 141 141 ALA C C 13 180.991 . . . . . . . 141 ALA C . 18021 1 662 . 1 1 141 141 ALA CA C 13 49.02 . . . . . . . 141 ALA CA . 18021 1 663 . 1 1 141 141 ALA CB C 13 19.242 . . . . . . . 141 ALA CB . 18021 1 664 . 1 1 141 141 ALA N N 15 126.981 . . . . . . . 141 ALA N . 18021 1 665 . 1 1 142 142 ILE H H 1 8.891 . . . . . . . 142 ILE H . 18021 1 666 . 1 1 142 142 ILE C C 13 177.123 . . . . . . . 142 ILE C . 18021 1 667 . 1 1 142 142 ILE CA C 13 59.978 . . . . . . . 142 ILE CA . 18021 1 668 . 1 1 142 142 ILE CB C 13 38.379 . . . . . . . 142 ILE CB . 18021 1 669 . 1 1 142 142 ILE N N 15 121.321 . . . . . . . 142 ILE N . 18021 1 670 . 1 1 143 143 LEU H H 1 8.831 . . . . . . . 143 LEU H . 18021 1 671 . 1 1 143 143 LEU C C 13 176.667 . . . . . . . 143 LEU C . 18021 1 672 . 1 1 143 143 LEU CA C 13 56.484 . . . . . . . 143 LEU CA . 18021 1 673 . 1 1 143 143 LEU CB C 13 40.126 . . . . . . . 143 LEU CB . 18021 1 674 . 1 1 143 143 LEU N N 15 126.626 . . . . . . . 143 LEU N . 18021 1 675 . 1 1 144 144 GLY H H 1 6.693 . . . . . . . 144 GLY H . 18021 1 676 . 1 1 144 144 GLY C C 13 174.528 . . . . . . . 144 GLY C . 18021 1 677 . 1 1 144 144 GLY CA C 13 48.979 . . . . . . . 144 GLY CA . 18021 1 678 . 1 1 144 144 GLY N N 15 104.355 . . . . . . . 144 GLY N . 18021 1 679 . 1 1 145 145 SER H H 1 10.516 . . . . . . . 145 SER H . 18021 1 680 . 1 1 145 145 SER C C 13 179.233 . . . . . . . 145 SER C . 18021 1 681 . 1 1 145 145 SER CA C 13 62.335 . . . . . . . 145 SER CA . 18021 1 682 . 1 1 145 145 SER CB C 13 62.465 . . . . . . . 145 SER CB . 18021 1 683 . 1 1 145 145 SER N N 15 121.994 . . . . . . . 145 SER N . 18021 1 684 . 1 1 146 146 TYR H H 1 9.12 . . . . . . . 146 TYR H . 18021 1 685 . 1 1 146 146 TYR C C 13 178.63 . . . . . . . 146 TYR C . 18021 1 686 . 1 1 146 146 TYR CA C 13 61.804 . . . . . . . 146 TYR CA . 18021 1 687 . 1 1 146 146 TYR CB C 13 36.712 . . . . . . . 146 TYR CB . 18021 1 688 . 1 1 146 146 TYR N N 15 124.996 . . . . . . . 146 TYR N . 18021 1 689 . 1 1 147 147 ASN H H 1 8.786 . . . . . . . 147 ASN H . 18021 1 690 . 1 1 147 147 ASN C C 13 180.656 . . . . . . . 147 ASN C . 18021 1 691 . 1 1 147 147 ASN CA C 13 55.849 . . . . . . . 147 ASN CA . 18021 1 692 . 1 1 147 147 ASN CB C 13 37.029 . . . . . . . 147 ASN CB . 18021 1 693 . 1 1 147 147 ASN N N 15 117.914 . . . . . . . 147 ASN N . 18021 1 694 . 1 1 148 148 ARG H H 1 9.218 . . . . . . . 148 ARG H . 18021 1 695 . 1 1 148 148 ARG C C 13 178.309 . . . . . . . 148 ARG C . 18021 1 696 . 1 1 148 148 ARG CA C 13 60.057 . . . . . . . 148 ARG CA . 18021 1 697 . 1 1 148 148 ARG CB C 13 30.836 . . . . . . . 148 ARG CB . 18021 1 698 . 1 1 148 148 ARG N N 15 121.233 . . . . . . . 148 ARG N . 18021 1 699 . 1 1 149 149 GLY H H 1 7.803 . . . . . . . 149 GLY H . 18021 1 700 . 1 1 149 149 GLY C C 13 173.373 . . . . . . . 149 GLY C . 18021 1 701 . 1 1 149 149 GLY CA C 13 44.397 . . . . . . . 149 GLY CA . 18021 1 702 . 1 1 149 149 GLY N N 15 104.286 . . . . . . . 149 GLY N . 18021 1 703 . 1 1 150 150 ASN H H 1 7.915 . . . . . . . 150 ASN H . 18021 1 704 . 1 1 150 150 ASN C C 13 174.26 . . . . . . . 150 ASN C . 18021 1 705 . 1 1 150 150 ASN CA C 13 54.285 . . . . . . . 150 ASN CA . 18021 1 706 . 1 1 150 150 ASN CB C 13 37.36 . . . . . . . 150 ASN CB . 18021 1 707 . 1 1 150 150 ASN N N 15 116.256 . . . . . . . 150 ASN N . 18021 1 708 . 1 1 151 151 LEU H H 1 8.561 . . . . . . . 151 LEU H . 18021 1 709 . 1 1 151 151 LEU C C 13 177.559 . . . . . . . 151 LEU C . 18021 1 710 . 1 1 151 151 LEU CA C 13 53.22 . . . . . . . 151 LEU CA . 18021 1 711 . 1 1 151 151 LEU CB C 13 43.064 . . . . . . . 151 LEU CB . 18021 1 712 . 1 1 151 151 LEU N N 15 117.854 . . . . . . . 151 LEU N . 18021 1 713 . 1 1 152 152 SER H H 1 8.484 . . . . . . . 152 SER H . 18021 1 714 . 1 1 152 152 SER C C 13 178.161 . . . . . . . 152 SER C . 18021 1 715 . 1 1 152 152 SER CA C 13 58.469 . . . . . . . 152 SER CA . 18021 1 716 . 1 1 152 152 SER CB C 13 62.757 . . . . . . . 152 SER CB . 18021 1 717 . 1 1 152 152 SER N N 15 115.217 . . . . . . . 152 SER N . 18021 1 718 . 1 1 153 153 THR H H 1 8.941 . . . . . . . 153 THR H . 18021 1 719 . 1 1 153 153 THR C C 13 175.214 . . . . . . . 153 THR C . 18021 1 720 . 1 1 153 153 THR CA C 13 61.804 . . . . . . . 153 THR CA . 18021 1 721 . 1 1 153 153 THR CB C 13 69.745 . . . . . . . 153 THR CB . 18021 1 722 . 1 1 153 153 THR N N 15 115.069 . . . . . . . 153 THR N . 18021 1 723 . 1 1 154 154 GLU H H 1 8.068 . . . . . . . 154 GLU H . 18021 1 724 . 1 1 154 154 GLU C C 13 178.597 . . . . . . . 154 GLU C . 18021 1 725 . 1 1 154 154 GLU CA C 13 61.09 . . . . . . . 154 GLU CA . 18021 1 726 . 1 1 154 154 GLU CB C 13 29.168 . . . . . . . 154 GLU CB . 18021 1 727 . 1 1 154 154 GLU N N 15 122.714 . . . . . . . 154 GLU N . 18021 1 728 . 1 1 155 155 LYS H H 1 8.468 . . . . . . . 155 LYS H . 18021 1 729 . 1 1 155 155 LYS C C 13 179.166 . . . . . . . 155 LYS C . 18021 1 730 . 1 1 155 155 LYS CA C 13 58.866 . . . . . . . 155 LYS CA . 18021 1 731 . 1 1 155 155 LYS CB C 13 31.233 . . . . . . . 155 LYS CB . 18021 1 732 . 1 1 155 155 LYS N N 15 119.336 . . . . . . . 155 LYS N . 18021 1 733 . 1 1 156 156 PHE H H 1 8.36 . . . . . . . 156 PHE H . 18021 1 734 . 1 1 156 156 PHE C C 13 176.011 . . . . . . . 156 PHE C . 18021 1 735 . 1 1 156 156 PHE CA C 13 57.913 . . . . . . . 156 PHE CA . 18021 1 736 . 1 1 156 156 PHE CB C 13 38.618 . . . . . . . 156 PHE CB . 18021 1 737 . 1 1 156 156 PHE N N 15 121.588 . . . . . . . 156 PHE N . 18021 1 738 . 1 1 157 157 VAL H H 1 8.446 . . . . . . . 157 VAL H . 18021 1 739 . 1 1 157 157 VAL C C 13 177.343 . . . . . . . 157 VAL C . 18021 1 740 . 1 1 157 157 VAL CA C 13 67.522 . . . . . . . 157 VAL CA . 18021 1 741 . 1 1 157 157 VAL CB C 13 30.995 . . . . . . . 157 VAL CB . 18021 1 742 . 1 1 157 157 VAL N N 15 117.44 . . . . . . . 157 VAL N . 18021 1 743 . 1 1 158 158 GLU H H 1 7.448 . . . . . . . 158 GLU H . 18021 1 744 . 1 1 158 158 GLU C C 13 179.161 . . . . . . . 158 GLU C . 18021 1 745 . 1 1 158 158 GLU CA C 13 59.07 . . . . . . . 158 GLU CA . 18021 1 746 . 1 1 158 158 GLU CB C 13 28.795 . . . . . . . 158 GLU CB . 18021 1 747 . 1 1 158 158 GLU N N 15 116.407 . . . . . . . 158 GLU N . 18021 1 748 . 1 1 159 159 GLU H H 1 8.214 . . . . . . . 159 GLU H . 18021 1 749 . 1 1 159 159 GLU C C 13 179.583 . . . . . . . 159 GLU C . 18021 1 750 . 1 1 159 159 GLU CA C 13 59.502 . . . . . . . 159 GLU CA . 18021 1 751 . 1 1 159 159 GLU CB C 13 29.645 . . . . . . . 159 GLU CB . 18021 1 752 . 1 1 159 159 GLU N N 15 120.67 . . . . . . . 159 GLU N . 18021 1 753 . 1 1 160 160 ILE H H 1 8.317 . . . . . . . 160 ILE H . 18021 1 754 . 1 1 160 160 ILE C C 13 180.529 . . . . . . . 160 ILE C . 18021 1 755 . 1 1 160 160 ILE CA C 13 61.725 . . . . . . . 160 ILE CA . 18021 1 756 . 1 1 160 160 ILE CB C 13 33.139 . . . . . . . 160 ILE CB . 18021 1 757 . 1 1 160 160 ILE N N 15 118.654 . . . . . . . 160 ILE N . 18021 1 758 . 1 1 161 161 LYS H H 1 8.442 . . . . . . . 161 LYS H . 18021 1 759 . 1 1 161 161 LYS C C 13 178.424 . . . . . . . 161 LYS C . 18021 1 760 . 1 1 161 161 LYS CA C 13 60.375 . . . . . . . 161 LYS CA . 18021 1 761 . 1 1 161 161 LYS CB C 13 31.63 . . . . . . . 161 LYS CB . 18021 1 762 . 1 1 161 161 LYS N N 15 125.174 . . . . . . . 161 LYS N . 18021 1 763 . 1 1 162 162 SER H H 1 7.339 . . . . . . . 162 SER H . 18021 1 764 . 1 1 162 162 SER C C 13 174.947 . . . . . . . 162 SER C . 18021 1 765 . 1 1 162 162 SER CA C 13 60.677 . . . . . . . 162 SER CA . 18021 1 766 . 1 1 162 162 SER CB C 13 62.469 . . . . . . . 162 SER CB . 18021 1 767 . 1 1 162 162 SER N N 15 112.32 . . . . . . . 162 SER N . 18021 1 768 . 1 1 163 163 ILE H H 1 7.143 . . . . . . . 163 ILE H . 18021 1 769 . 1 1 163 163 ILE C C 13 175.382 . . . . . . . 163 ILE C . 18021 1 770 . 1 1 163 163 ILE CA C 13 62.32 . . . . . . . 163 ILE CA . 18021 1 771 . 1 1 163 163 ILE CB C 13 39.086 . . . . . . . 163 ILE CB . 18021 1 772 . 1 1 163 163 ILE N N 15 119.923 . . . . . . . 163 ILE N . 18021 1 773 . 1 1 164 164 ALA H H 1 6.84 . . . . . . . 164 ALA H . 18021 1 774 . 1 1 164 164 ALA C C 13 178.496 . . . . . . . 164 ALA C . 18021 1 775 . 1 1 164 164 ALA CA C 13 52.037 . . . . . . . 164 ALA CA . 18021 1 776 . 1 1 164 164 ALA CB C 13 18.835 . . . . . . . 164 ALA CB . 18021 1 777 . 1 1 164 164 ALA N N 15 121.535 . . . . . . . 164 ALA N . 18021 1 778 . 1 1 165 165 SER H H 1 8.647 . . . . . . . 165 SER H . 18021 1 779 . 1 1 165 165 SER CA C 13 61.487 . . . . . . . 165 SER CA . 18021 1 780 . 1 1 165 165 SER CB C 13 61.72 . . . . . . . 165 SER CB . 18021 1 781 . 1 1 165 165 SER N N 15 120.551 . . . . . . . 165 SER N . 18021 1 782 . 1 1 168 168 THR CA C 13 66.917 . . . . . . . 168 THR CA . 18021 1 783 . 1 1 168 168 THR CB C 13 68.396 . . . . . . . 168 THR CB . 18021 1 784 . 1 1 169 169 GLU H H 1 9.31 . . . . . . . 169 GLU H . 18021 1 785 . 1 1 169 169 GLU C C 13 177.492 . . . . . . . 169 GLU C . 18021 1 786 . 1 1 169 169 GLU CA C 13 58.787 . . . . . . . 169 GLU CA . 18021 1 787 . 1 1 169 169 GLU CB C 13 28.374 . . . . . . . 169 GLU CB . 18021 1 788 . 1 1 169 169 GLU N N 15 118.269 . . . . . . . 169 GLU N . 18021 1 789 . 1 1 170 170 LYS H H 1 7.162 . . . . . . . 170 LYS H . 18021 1 790 . 1 1 170 170 LYS C C 13 176.219 . . . . . . . 170 LYS C . 18021 1 791 . 1 1 170 170 LYS CA C 13 55.817 . . . . . . . 170 LYS CA . 18021 1 792 . 1 1 170 170 LYS CB C 13 33.443 . . . . . . . 170 LYS CB . 18021 1 793 . 1 1 170 170 LYS N N 15 114.569 . . . . . . . 170 LYS N . 18021 1 794 . 1 1 171 171 HIS H H 1 7.047 . . . . . . . 171 HIS H . 18021 1 795 . 1 1 171 171 HIS C C 13 172.552 . . . . . . . 171 HIS C . 18021 1 796 . 1 1 171 171 HIS CA C 13 57.941 . . . . . . . 171 HIS CA . 18021 1 797 . 1 1 171 171 HIS CB C 13 31.385 . . . . . . . 171 HIS CB . 18021 1 798 . 1 1 171 171 HIS N N 15 114.019 . . . . . . . 171 HIS N . 18021 1 799 . 1 1 172 172 PHE H H 1 7.867 . . . . . . . 172 PHE H . 18021 1 800 . 1 1 172 172 PHE C C 13 174.093 . . . . . . . 172 PHE C . 18021 1 801 . 1 1 172 172 PHE CA C 13 55.352 . . . . . . . 172 PHE CA . 18021 1 802 . 1 1 172 172 PHE CB C 13 41.343 . . . . . . . 172 PHE CB . 18021 1 803 . 1 1 172 172 PHE N N 15 118.885 . . . . . . . 172 PHE N . 18021 1 804 . 1 1 173 173 PHE H H 1 8.466 . . . . . . . 173 PHE H . 18021 1 805 . 1 1 173 173 PHE C C 13 171.815 . . . . . . . 173 PHE C . 18021 1 806 . 1 1 173 173 PHE CA C 13 55.69 . . . . . . . 173 PHE CA . 18021 1 807 . 1 1 173 173 PHE CB C 13 42.27 . . . . . . . 173 PHE CB . 18021 1 808 . 1 1 173 173 PHE N N 15 126.063 . . . . . . . 173 PHE N . 18021 1 809 . 1 1 174 174 ASN H H 1 8.172 . . . . . . . 174 ASN H . 18021 1 810 . 1 1 174 174 ASN C C 13 174.519 . . . . . . . 174 ASN C . 18021 1 811 . 1 1 174 174 ASN CA C 13 51.302 . . . . . . . 174 ASN CA . 18021 1 812 . 1 1 174 174 ASN CB C 13 40.148 . . . . . . . 174 ASN CB . 18021 1 813 . 1 1 174 174 ASN N N 15 118.24 . . . . . . . 174 ASN N . 18021 1 814 . 1 1 175 175 VAL H H 1 8.655 . . . . . . . 175 VAL H . 18021 1 815 . 1 1 175 175 VAL C C 13 175.851 . . . . . . . 175 VAL C . 18021 1 816 . 1 1 175 175 VAL CA C 13 59.581 . . . . . . . 175 VAL CA . 18021 1 817 . 1 1 175 175 VAL CB C 13 33.774 . . . . . . . 175 VAL CB . 18021 1 818 . 1 1 175 175 VAL N N 15 119.899 . . . . . . . 175 VAL N . 18021 1 819 . 1 1 176 176 SER H H 1 8.838 . . . . . . . 176 SER H . 18021 1 820 . 1 1 176 176 SER C C 13 173.357 . . . . . . . 176 SER C . 18021 1 821 . 1 1 176 176 SER CA C 13 61.646 . . . . . . . 176 SER CA . 18021 1 822 . 1 1 176 176 SER CB C 13 62.837 . . . . . . . 176 SER CB . 18021 1 823 . 1 1 176 176 SER N N 15 119.603 . . . . . . . 176 SER N . 18021 1 824 . 1 1 177 177 ASP H H 1 7.116 . . . . . . . 177 ASP H . 18021 1 825 . 1 1 177 177 ASP C C 13 174.284 . . . . . . . 177 ASP C . 18021 1 826 . 1 1 177 177 ASP CA C 13 53.151 . . . . . . . 177 ASP CA . 18021 1 827 . 1 1 177 177 ASP CB C 13 43.567 . . . . . . . 177 ASP CB . 18021 1 828 . 1 1 177 177 ASP N N 15 111.07 . . . . . . . 177 ASP N . 18021 1 829 . 1 1 178 178 GLU H H 1 11.953 . . . . . . . 178 GLU H . 18021 1 830 . 1 1 178 178 GLU C C 13 178.764 . . . . . . . 178 GLU C . 18021 1 831 . 1 1 178 178 GLU CA C 13 62.247 . . . . . . . 178 GLU CA . 18021 1 832 . 1 1 178 178 GLU CB C 13 29.02 . . . . . . . 178 GLU CB . 18021 1 833 . 1 1 178 178 GLU N N 15 123.069 . . . . . . . 178 GLU N . 18021 1 834 . 1 1 179 179 LEU H H 1 8.061 . . . . . . . 179 LEU H . 18021 1 835 . 1 1 179 179 LEU C C 13 178.145 . . . . . . . 179 LEU C . 18021 1 836 . 1 1 179 179 LEU CA C 13 56.709 . . . . . . . 179 LEU CA . 18021 1 837 . 1 1 179 179 LEU CB C 13 39.876 . . . . . . . 179 LEU CB . 18021 1 838 . 1 1 179 179 LEU N N 15 116.165 . . . . . . . 179 LEU N . 18021 1 839 . 1 1 180 180 ALA H H 1 7.697 . . . . . . . 180 ALA H . 18021 1 840 . 1 1 180 180 ALA C C 13 179.769 . . . . . . . 180 ALA C . 18021 1 841 . 1 1 180 180 ALA CA C 13 51.435 . . . . . . . 180 ALA CA . 18021 1 842 . 1 1 180 180 ALA CB C 13 18.837 . . . . . . . 180 ALA CB . 18021 1 843 . 1 1 180 180 ALA N N 15 117.603 . . . . . . . 180 ALA N . 18021 1 844 . 1 1 181 181 LEU H H 1 7.708 . . . . . . . 181 LEU H . 18021 1 845 . 1 1 181 181 LEU C C 13 177.676 . . . . . . . 181 LEU C . 18021 1 846 . 1 1 181 181 LEU CA C 13 58.805 . . . . . . . 181 LEU CA . 18021 1 847 . 1 1 181 181 LEU CB C 13 41.012 . . . . . . . 181 LEU CB . 18021 1 848 . 1 1 181 181 LEU N N 15 124.164 . . . . . . . 181 LEU N . 18021 1 849 . 1 1 182 182 VAL H H 1 7.596 . . . . . . . 182 VAL H . 18021 1 850 . 1 1 182 182 VAL C C 13 177.776 . . . . . . . 182 VAL C . 18021 1 851 . 1 1 182 182 VAL CA C 13 64.182 . . . . . . . 182 VAL CA . 18021 1 852 . 1 1 182 182 VAL CB C 13 31.318 . . . . . . . 182 VAL CB . 18021 1 853 . 1 1 182 182 VAL N N 15 108.854 . . . . . . . 182 VAL N . 18021 1 854 . 1 1 183 183 THR H H 1 7.725 . . . . . . . 183 THR H . 18021 1 855 . 1 1 183 183 THR C C 13 176.855 . . . . . . . 183 THR C . 18021 1 856 . 1 1 183 183 THR CA C 13 63.917 . . . . . . . 183 THR CA . 18021 1 857 . 1 1 183 183 THR CB C 13 69.494 . . . . . . . 183 THR CB . 18021 1 858 . 1 1 183 183 THR N N 15 110.162 . . . . . . . 183 THR N . 18021 1 859 . 1 1 184 184 ILE H H 1 7.221 . . . . . . . 184 ILE H . 18021 1 860 . 1 1 184 184 ILE C C 13 176.169 . . . . . . . 184 ILE C . 18021 1 861 . 1 1 184 184 ILE CA C 13 60.929 . . . . . . . 184 ILE CA . 18021 1 862 . 1 1 184 184 ILE CB C 13 38.157 . . . . . . . 184 ILE CB . 18021 1 863 . 1 1 184 184 ILE N N 15 111.954 . . . . . . . 184 ILE N . 18021 1 864 . 1 1 185 185 VAL H H 1 7.065 . . . . . . . 185 VAL H . 18021 1 865 . 1 1 185 185 VAL C C 13 177.14 . . . . . . . 185 VAL C . 18021 1 866 . 1 1 185 185 VAL CA C 13 67.236 . . . . . . . 185 VAL CA . 18021 1 867 . 1 1 185 185 VAL CB C 13 31.186 . . . . . . . 185 VAL CB . 18021 1 868 . 1 1 185 185 VAL N N 15 120.262 . . . . . . . 185 VAL N . 18021 1 869 . 1 1 186 186 LYS H H 1 8.408 . . . . . . . 186 LYS H . 18021 1 870 . 1 1 186 186 LYS C C 13 178.463 . . . . . . . 186 LYS C . 18021 1 871 . 1 1 186 186 LYS CA C 13 59.581 . . . . . . . 186 LYS CA . 18021 1 872 . 1 1 186 186 LYS CB C 13 31.284 . . . . . . . 186 LYS CB . 18021 1 873 . 1 1 186 186 LYS N N 15 119.692 . . . . . . . 186 LYS N . 18021 1 874 . 1 1 187 187 THR H H 1 7.66 . . . . . . . 187 THR H . 18021 1 875 . 1 1 187 187 THR C C 13 176.107 . . . . . . . 187 THR C . 18021 1 876 . 1 1 187 187 THR CA C 13 65.377 . . . . . . . 187 THR CA . 18021 1 877 . 1 1 187 187 THR CB C 13 68.431 . . . . . . . 187 THR CB . 18021 1 878 . 1 1 187 187 THR N N 15 114.501 . . . . . . . 187 THR N . 18021 1 879 . 1 1 188 188 LEU H H 1 8.184 . . . . . . . 188 LEU H . 18021 1 880 . 1 1 188 188 LEU C C 13 178.355 . . . . . . . 188 LEU C . 18021 1 881 . 1 1 188 188 LEU CA C 13 58.31 . . . . . . . 188 LEU CA . 18021 1 882 . 1 1 188 188 LEU CB C 13 40.603 . . . . . . . 188 LEU CB . 18021 1 883 . 1 1 188 188 LEU N N 15 120.373 . . . . . . . 188 LEU N . 18021 1 884 . 1 1 189 189 GLY H H 1 8.331 . . . . . . . 189 GLY H . 18021 1 885 . 1 1 189 189 GLY C C 13 175.985 . . . . . . . 189 GLY C . 18021 1 886 . 1 1 189 189 GLY CA C 13 46.52 . . . . . . . 189 GLY CA . 18021 1 887 . 1 1 189 189 GLY N N 15 102.482 . . . . . . . 189 GLY N . 18021 1 888 . 1 1 190 190 GLU H H 1 7.511 . . . . . . . 190 GLU H . 18021 1 889 . 1 1 190 190 GLU C C 13 177.693 . . . . . . . 190 GLU C . 18021 1 890 . 1 1 190 190 GLU CA C 13 57.078 . . . . . . . 190 GLU CA . 18021 1 891 . 1 1 190 190 GLU CB C 13 29.393 . . . . . . . 190 GLU CB . 18021 1 892 . 1 1 190 190 GLU N N 15 116.843 . . . . . . . 190 GLU N . 18021 1 893 . 1 1 191 191 ARG H H 1 7.628 . . . . . . . 191 ARG H . 18021 1 894 . 1 1 191 191 ARG C C 13 175.451 . . . . . . . 191 ARG C . 18021 1 895 . 1 1 191 191 ARG CA C 13 56.571 . . . . . . . 191 ARG CA . 18021 1 896 . 1 1 191 191 ARG CB C 13 32.152 . . . . . . . 191 ARG CB . 18021 1 897 . 1 1 191 191 ARG N N 15 117.829 . . . . . . . 191 ARG N . 18021 1 898 . 1 1 192 192 ILE H H 1 6.9 . . . . . . . 192 ILE H . 18021 1 899 . 1 1 192 192 ILE C C 13 180.104 . . . . . . . 192 ILE C . 18021 1 900 . 1 1 192 192 ILE CA C 13 64.981 . . . . . . . 192 ILE CA . 18021 1 901 . 1 1 192 192 ILE CB C 13 38.618 . . . . . . . 192 ILE CB . 18021 1 902 . 1 1 192 192 ILE N N 15 123.961 . . . . . . . 192 ILE N . 18021 1 stop_ save_