data_5752 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5752 _Entry.Title ; 1H, 13C and 15N backbone resonance assignment of the Integrin alpha2 I-domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-03-21 _Entry.Accession_date 2003-03-24 _Entry.Last_release_date 2003-08-07 _Entry.Original_release_date 2003-08-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Bettina Elshorst . . . 5752 2 Doris Jacobs . . . 5752 3 Harald Schwalbe . . . 5752 4 Thomas Langer . . . 5752 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5752 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 194 5752 '13C chemical shifts' 580 5752 '15N chemical shifts' 194 5752 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-08-07 2003-03-21 original author . 5752 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5752 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N backbone resonance assignment of the Integrin alpha2 I-domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 27 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 191 _Citation.Page_last 192 _Citation.Year 2003 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Bettina Elshorst . . . 5752 1 2 Doris Jacobs . . . 5752 1 3 Harald Schwalbe . . . 5752 1 4 Thomas Langer . . . 5752 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'heteronuclear NMR' 5752 1 Integrin 5752 1 I-domain 5752 1 MIDAS 5752 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_I-domain _Assembly.Sf_category assembly _Assembly.Sf_framecode system_I-domain _Assembly.Entry_ID 5752 _Assembly.ID 1 _Assembly.Name 'human Integrin alpha2 I-domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5752 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'human Integrin alpha2 I-domain' 1 $I-domain . . . native . . . . . 5752 1 2 'magnesium ion II' 2 $MG . . . native . . . . . 5752 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 . PDB 1AOX . . . . . ; NMR-construct goes from Ser-142 to Gly-337, at the N-Terminus are four aminoacids (GAMG) due to the restiction site ; 5752 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'human Integrin alpha2 I-domain' system 5752 1 I-domain abbreviation 5752 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_I-domain _Entity.Sf_category entity _Entity.Sf_framecode I-domain _Entity.Entry_ID 5752 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'human Integrin alpha2 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 ; GAMGSLIDVVVVCDESNSIY PWDAVKNFLEKFVQGLDIGP TKTQVGLIQYANNPRVVFNL NTYKTKEEMIVATSQTSQYG GDLTNTFGAIQYARKYAYSA ASGGRRSATKVMVVVTDGES HDGSMLKAVIDQCNHDNILR FGIAVLGYLNRNALDTKNLI KEIKAIASIPTERYFFNVSD EAALLEKAGTLGEQIFSIEG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 200 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 PDB 1AOX . "I Domain From Integrin Alpha2-Beta1" . . . . . 98.00 203 100.00 100.00 6.15e-141 . . . . 5752 1 2 no PDB 1DZI . "Integrin Alpha2 I Domain COLLAGEN COMPLEX" . . . . . 92.50 185 99.46 100.00 2.86e-132 . . . . 5752 1 3 no PDB 1V7P . "Structure Of Ems16-Alpha2-I Domain Complex" . . . . . 100.00 200 98.50 99.00 1.21e-141 . . . . 5752 1 4 no PDB 4BJ3 . "Integrin Alpha2 I Domain E318w-collagen Complex" . . . . . 98.00 225 99.49 99.49 3.86e-140 . . . . 5752 1 5 no DBJ BAG11081 . "integrin alpha-2 precursor [synthetic construct]" . . . . . 98.00 1181 100.00 100.00 2.44e-129 . . . . 5752 1 6 no EMBL CAA34894 . "unnamed protein product [Homo sapiens]" . . . . . 98.00 1181 100.00 100.00 2.44e-129 . . . . 5752 1 7 no GB AAC94975 . "integrin alpha 2 [Homo sapiens]" . . . . . 78.00 156 100.00 100.00 4.54e-109 . . . . 5752 1 8 no GB AAI48597 . "Integrin, alpha 2 (CD49B, alpha 2 subunit of VLA-2 receptor), partial [synthetic construct]" . . . . . 98.00 1181 100.00 100.00 2.44e-129 . . . . 5752 1 9 no GB AAI56716 . "Integrin, alpha 2 (CD49B, alpha 2 subunit of VLA-2 receptor) [synthetic construct]" . . . . . 98.00 1181 100.00 100.00 2.44e-129 . . . . 5752 1 10 no GB AAM34795 . "integrin, alpha 2 (CD49B, alpha 2 subunit of VLA-2 receptor) [Homo sapiens]" . . . . . 98.00 1181 100.00 100.00 2.44e-129 . . . . 5752 1 11 no GB EAW54872 . "integrin, alpha 2 (CD49B, alpha 2 subunit of VLA-2 receptor), isoform CRA_a [Homo sapiens]" . . . . . 98.00 1181 100.00 100.00 2.44e-129 . . . . 5752 1 12 no REF NP_001247751 . "integrin alpha-2 precursor [Macaca mulatta]" . . . . . 98.00 1180 99.49 100.00 9.56e-129 . . . . 5752 1 13 no REF NP_002194 . "integrin alpha-2 precursor [Homo sapiens]" . . . . . 98.00 1181 100.00 100.00 2.44e-129 . . . . 5752 1 14 no REF XP_003276566 . "PREDICTED: integrin alpha-2 [Nomascus leucogenys]" . . . . . 98.00 1181 99.49 100.00 4.21e-129 . . . . 5752 1 15 no REF XP_003827399 . "PREDICTED: integrin alpha-2 [Pan paniscus]" . . . . . 98.00 1181 100.00 100.00 2.34e-129 . . . . 5752 1 16 no REF XP_003899707 . "PREDICTED: integrin alpha-2 [Papio anubis]" . . . . . 98.00 1184 100.00 100.00 3.17e-129 . . . . 5752 1 17 no SP P17301 . "RecName: Full=Integrin alpha-2; AltName: Full=CD49 antigen-like family member B; AltName: Full=Collagen receptor; AltName: Full" . . . . . 98.00 1181 100.00 100.00 2.44e-129 . . . . 5752 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'human Integrin alpha2 I-domain' common 5752 1 I-domain abbreviation 5752 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 -4 GLY . 5752 1 2 -3 ALA . 5752 1 3 -2 MET . 5752 1 4 -1 GLY . 5752 1 5 142 SER . 5752 1 6 143 LEU . 5752 1 7 144 ILE . 5752 1 8 145 ASP . 5752 1 9 146 VAL . 5752 1 10 147 VAL . 5752 1 11 148 VAL . 5752 1 12 149 VAL . 5752 1 13 150 CYS . 5752 1 14 151 ASP . 5752 1 15 152 GLU . 5752 1 16 153 SER . 5752 1 17 154 ASN . 5752 1 18 155 SER . 5752 1 19 156 ILE . 5752 1 20 157 TYR . 5752 1 21 158 PRO . 5752 1 22 159 TRP . 5752 1 23 160 ASP . 5752 1 24 161 ALA . 5752 1 25 162 VAL . 5752 1 26 163 LYS . 5752 1 27 164 ASN . 5752 1 28 165 PHE . 5752 1 29 166 LEU . 5752 1 30 167 GLU . 5752 1 31 168 LYS . 5752 1 32 169 PHE . 5752 1 33 170 VAL . 5752 1 34 171 GLN . 5752 1 35 172 GLY . 5752 1 36 173 LEU . 5752 1 37 174 ASP . 5752 1 38 175 ILE . 5752 1 39 176 GLY . 5752 1 40 177 PRO . 5752 1 41 178 THR . 5752 1 42 179 LYS . 5752 1 43 180 THR . 5752 1 44 181 GLN . 5752 1 45 182 VAL . 5752 1 46 183 GLY . 5752 1 47 184 LEU . 5752 1 48 185 ILE . 5752 1 49 186 GLN . 5752 1 50 187 TYR . 5752 1 51 188 ALA . 5752 1 52 189 ASN . 5752 1 53 190 ASN . 5752 1 54 191 PRO . 5752 1 55 192 ARG . 5752 1 56 193 VAL . 5752 1 57 194 VAL . 5752 1 58 195 PHE . 5752 1 59 196 ASN . 5752 1 60 197 LEU . 5752 1 61 198 ASN . 5752 1 62 199 THR . 5752 1 63 200 TYR . 5752 1 64 201 LYS . 5752 1 65 202 THR . 5752 1 66 203 LYS . 5752 1 67 204 GLU . 5752 1 68 205 GLU . 5752 1 69 206 MET . 5752 1 70 207 ILE . 5752 1 71 208 VAL . 5752 1 72 209 ALA . 5752 1 73 210 THR . 5752 1 74 211 SER . 5752 1 75 212 GLN . 5752 1 76 213 THR . 5752 1 77 214 SER . 5752 1 78 215 GLN . 5752 1 79 216 TYR . 5752 1 80 217 GLY . 5752 1 81 218 GLY . 5752 1 82 219 ASP . 5752 1 83 220 LEU . 5752 1 84 221 THR . 5752 1 85 222 ASN . 5752 1 86 223 THR . 5752 1 87 224 PHE . 5752 1 88 225 GLY . 5752 1 89 226 ALA . 5752 1 90 227 ILE . 5752 1 91 228 GLN . 5752 1 92 229 TYR . 5752 1 93 230 ALA . 5752 1 94 231 ARG . 5752 1 95 232 LYS . 5752 1 96 233 TYR . 5752 1 97 234 ALA . 5752 1 98 235 TYR . 5752 1 99 236 SER . 5752 1 100 237 ALA . 5752 1 101 238 ALA . 5752 1 102 239 SER . 5752 1 103 240 GLY . 5752 1 104 241 GLY . 5752 1 105 242 ARG . 5752 1 106 243 ARG . 5752 1 107 244 SER . 5752 1 108 245 ALA . 5752 1 109 246 THR . 5752 1 110 247 LYS . 5752 1 111 248 VAL . 5752 1 112 249 MET . 5752 1 113 250 VAL . 5752 1 114 251 VAL . 5752 1 115 252 VAL . 5752 1 116 253 THR . 5752 1 117 254 ASP . 5752 1 118 255 GLY . 5752 1 119 256 GLU . 5752 1 120 257 SER . 5752 1 121 258 HIS . 5752 1 122 259 ASP . 5752 1 123 260 GLY . 5752 1 124 261 SER . 5752 1 125 262 MET . 5752 1 126 263 LEU . 5752 1 127 264 LYS . 5752 1 128 265 ALA . 5752 1 129 266 VAL . 5752 1 130 267 ILE . 5752 1 131 268 ASP . 5752 1 132 269 GLN . 5752 1 133 270 CYS . 5752 1 134 271 ASN . 5752 1 135 272 HIS . 5752 1 136 273 ASP . 5752 1 137 274 ASN . 5752 1 138 275 ILE . 5752 1 139 276 LEU . 5752 1 140 277 ARG . 5752 1 141 278 PHE . 5752 1 142 279 GLY . 5752 1 143 280 ILE . 5752 1 144 281 ALA . 5752 1 145 282 VAL . 5752 1 146 283 LEU . 5752 1 147 284 GLY . 5752 1 148 285 TYR . 5752 1 149 286 LEU . 5752 1 150 287 ASN . 5752 1 151 288 ARG . 5752 1 152 289 ASN . 5752 1 153 290 ALA . 5752 1 154 291 LEU . 5752 1 155 292 ASP . 5752 1 156 293 THR . 5752 1 157 294 LYS . 5752 1 158 295 ASN . 5752 1 159 296 LEU . 5752 1 160 297 ILE . 5752 1 161 298 LYS . 5752 1 162 299 GLU . 5752 1 163 300 ILE . 5752 1 164 301 LYS . 5752 1 165 302 ALA . 5752 1 166 303 ILE . 5752 1 167 304 ALA . 5752 1 168 305 SER . 5752 1 169 306 ILE . 5752 1 170 307 PRO . 5752 1 171 308 THR . 5752 1 172 309 GLU . 5752 1 173 310 ARG . 5752 1 174 311 TYR . 5752 1 175 312 PHE . 5752 1 176 313 PHE . 5752 1 177 314 ASN . 5752 1 178 315 VAL . 5752 1 179 316 SER . 5752 1 180 317 ASP . 5752 1 181 318 GLU . 5752 1 182 319 ALA . 5752 1 183 320 ALA . 5752 1 184 321 LEU . 5752 1 185 322 LEU . 5752 1 186 323 GLU . 5752 1 187 324 LYS . 5752 1 188 325 ALA . 5752 1 189 326 GLY . 5752 1 190 327 THR . 5752 1 191 328 LEU . 5752 1 192 329 GLY . 5752 1 193 330 GLU . 5752 1 194 331 GLN . 5752 1 195 332 ILE . 5752 1 196 333 PHE . 5752 1 197 334 SER . 5752 1 198 335 ILE . 5752 1 199 336 GLU . 5752 1 200 337 GLY . 5752 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 . GLY 1 1 5752 1 . ALA 2 2 5752 1 . MET 3 3 5752 1 . GLY 4 4 5752 1 . SER 5 5 5752 1 . LEU 6 6 5752 1 . ILE 7 7 5752 1 . ASP 8 8 5752 1 . VAL 9 9 5752 1 . VAL 10 10 5752 1 . VAL 11 11 5752 1 . VAL 12 12 5752 1 . CYS 13 13 5752 1 . ASP 14 14 5752 1 . GLU 15 15 5752 1 . SER 16 16 5752 1 . ASN 17 17 5752 1 . SER 18 18 5752 1 . ILE 19 19 5752 1 . TYR 20 20 5752 1 . PRO 21 21 5752 1 . TRP 22 22 5752 1 . ASP 23 23 5752 1 . ALA 24 24 5752 1 . VAL 25 25 5752 1 . LYS 26 26 5752 1 . ASN 27 27 5752 1 . PHE 28 28 5752 1 . LEU 29 29 5752 1 . GLU 30 30 5752 1 . LYS 31 31 5752 1 . PHE 32 32 5752 1 . VAL 33 33 5752 1 . GLN 34 34 5752 1 . GLY 35 35 5752 1 . LEU 36 36 5752 1 . ASP 37 37 5752 1 . ILE 38 38 5752 1 . GLY 39 39 5752 1 . PRO 40 40 5752 1 . THR 41 41 5752 1 . LYS 42 42 5752 1 . THR 43 43 5752 1 . GLN 44 44 5752 1 . VAL 45 45 5752 1 . GLY 46 46 5752 1 . LEU 47 47 5752 1 . ILE 48 48 5752 1 . GLN 49 49 5752 1 . TYR 50 50 5752 1 . ALA 51 51 5752 1 . ASN 52 52 5752 1 . ASN 53 53 5752 1 . PRO 54 54 5752 1 . ARG 55 55 5752 1 . VAL 56 56 5752 1 . VAL 57 57 5752 1 . PHE 58 58 5752 1 . ASN 59 59 5752 1 . LEU 60 60 5752 1 . ASN 61 61 5752 1 . THR 62 62 5752 1 . TYR 63 63 5752 1 . LYS 64 64 5752 1 . THR 65 65 5752 1 . LYS 66 66 5752 1 . GLU 67 67 5752 1 . GLU 68 68 5752 1 . MET 69 69 5752 1 . ILE 70 70 5752 1 . VAL 71 71 5752 1 . ALA 72 72 5752 1 . THR 73 73 5752 1 . SER 74 74 5752 1 . GLN 75 75 5752 1 . THR 76 76 5752 1 . SER 77 77 5752 1 . GLN 78 78 5752 1 . TYR 79 79 5752 1 . GLY 80 80 5752 1 . GLY 81 81 5752 1 . ASP 82 82 5752 1 . LEU 83 83 5752 1 . THR 84 84 5752 1 . ASN 85 85 5752 1 . THR 86 86 5752 1 . PHE 87 87 5752 1 . GLY 88 88 5752 1 . ALA 89 89 5752 1 . ILE 90 90 5752 1 . GLN 91 91 5752 1 . TYR 92 92 5752 1 . ALA 93 93 5752 1 . ARG 94 94 5752 1 . LYS 95 95 5752 1 . TYR 96 96 5752 1 . ALA 97 97 5752 1 . TYR 98 98 5752 1 . SER 99 99 5752 1 . ALA 100 100 5752 1 . ALA 101 101 5752 1 . SER 102 102 5752 1 . GLY 103 103 5752 1 . GLY 104 104 5752 1 . ARG 105 105 5752 1 . ARG 106 106 5752 1 . SER 107 107 5752 1 . ALA 108 108 5752 1 . THR 109 109 5752 1 . LYS 110 110 5752 1 . VAL 111 111 5752 1 . MET 112 112 5752 1 . VAL 113 113 5752 1 . VAL 114 114 5752 1 . VAL 115 115 5752 1 . THR 116 116 5752 1 . ASP 117 117 5752 1 . GLY 118 118 5752 1 . GLU 119 119 5752 1 . SER 120 120 5752 1 . HIS 121 121 5752 1 . ASP 122 122 5752 1 . GLY 123 123 5752 1 . SER 124 124 5752 1 . MET 125 125 5752 1 . LEU 126 126 5752 1 . LYS 127 127 5752 1 . ALA 128 128 5752 1 . VAL 129 129 5752 1 . ILE 130 130 5752 1 . ASP 131 131 5752 1 . GLN 132 132 5752 1 . CYS 133 133 5752 1 . ASN 134 134 5752 1 . HIS 135 135 5752 1 . ASP 136 136 5752 1 . ASN 137 137 5752 1 . ILE 138 138 5752 1 . LEU 139 139 5752 1 . ARG 140 140 5752 1 . PHE 141 141 5752 1 . GLY 142 142 5752 1 . ILE 143 143 5752 1 . ALA 144 144 5752 1 . VAL 145 145 5752 1 . LEU 146 146 5752 1 . GLY 147 147 5752 1 . TYR 148 148 5752 1 . LEU 149 149 5752 1 . ASN 150 150 5752 1 . ARG 151 151 5752 1 . ASN 152 152 5752 1 . ALA 153 153 5752 1 . LEU 154 154 5752 1 . ASP 155 155 5752 1 . THR 156 156 5752 1 . LYS 157 157 5752 1 . ASN 158 158 5752 1 . LEU 159 159 5752 1 . ILE 160 160 5752 1 . LYS 161 161 5752 1 . GLU 162 162 5752 1 . ILE 163 163 5752 1 . LYS 164 164 5752 1 . ALA 165 165 5752 1 . ILE 166 166 5752 1 . ALA 167 167 5752 1 . SER 168 168 5752 1 . ILE 169 169 5752 1 . PRO 170 170 5752 1 . THR 171 171 5752 1 . GLU 172 172 5752 1 . ARG 173 173 5752 1 . TYR 174 174 5752 1 . PHE 175 175 5752 1 . PHE 176 176 5752 1 . ASN 177 177 5752 1 . VAL 178 178 5752 1 . SER 179 179 5752 1 . ASP 180 180 5752 1 . GLU 181 181 5752 1 . ALA 182 182 5752 1 . ALA 183 183 5752 1 . LEU 184 184 5752 1 . LEU 185 185 5752 1 . GLU 186 186 5752 1 . LYS 187 187 5752 1 . ALA 188 188 5752 1 . GLY 189 189 5752 1 . THR 190 190 5752 1 . LEU 191 191 5752 1 . GLY 192 192 5752 1 . GLU 193 193 5752 1 . GLN 194 194 5752 1 . ILE 195 195 5752 1 . PHE 196 196 5752 1 . SER 197 197 5752 1 . ILE 198 198 5752 1 . GLU 199 199 5752 1 . GLY 200 200 5752 1 stop_ save_ save_MG _Entity.Sf_category entity _Entity.Sf_framecode MG _Entity.Entry_ID 5752 _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 . 5752 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 5752 _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 $I-domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5752 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 5752 _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 $I-domain . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5752 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 5752 _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 Tue Jun 14 12:24:59 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 [Mg+2] SMILES ACDLabs 10.04 5752 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 5752 MG [Mg++] SMILES CACTVS 3.341 5752 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5752 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 5752 MG InChI=1S/Mg/q+2 InChI InChI 1.03 5752 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 5752 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 5752 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5752 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 . 5752 MG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_int-sample_1 _Sample.Sf_category sample _Sample.Sf_framecode int-sample_1 _Sample.Entry_ID 5752 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'human Integrin alpha2 I-domain' '[U-2H; U-13C; U-15N]' . . 1 $I-domain . . 1 . . mM . . . . 5752 1 stop_ save_ ####################### # Sample conditions # ####################### save_ex_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode ex_cond_1 _Sample_condition_list.Entry_ID 5752 _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 6.5 0.2 n/a 5752 1 temperature 298 1 K 5752 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5752 _Software.ID 1 _Software.Name XWINNMR _Software.Version 3.1 _Software.Details 'Bruker software' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NMR data processing' 5752 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5752 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details 'Bartels et al., J.Biomol. NMR, 1995, 6, 1-10.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NMR data analysis' 5752 2 visualization 5752 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5752 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5752 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 800 . . . 5752 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 5752 _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 'TROSY-Version of 1H, 15N-HSQC' . . . . . . . . . . . 1 $int-sample_1 . . . 1 $ex_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5752 1 2 HNCACB . . . . . . . . . . . 1 $int-sample_1 . . . 1 $ex_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5752 1 3 CBCA(CO)NH . . . . . . . . . . . 1 $int-sample_1 . . . 1 $ex_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5752 1 4 HNCO . . . . . . . . . . . 1 $int-sample_1 . . . 1 $ex_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5752 1 5 HN(CA)CO . . . . . . . . . . . 1 $int-sample_1 . . . 1 $ex_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5752 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5752 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 'TROSY-Version of 1H, 15N-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5752 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5752 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5752 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5752 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5752 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5752 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5752 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5752 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5752 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $ex_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $int-sample_1 . 5752 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 2 2 ALA CA C 13 50.048 0.1 . 1 . . . . -3 . . . 5752 1 2 . 1 1 2 2 ALA CB C 13 16.231 0.1 . 1 . . . . -3 . . . 5752 1 3 . 1 1 3 3 MET H H 1 8.44 0.01 . 1 . . . . -2 . . . 5752 1 4 . 1 1 3 3 MET N N 15 119.071 0.1 . 1 . . . . -2 . . . 5752 1 5 . 1 1 3 3 MET CA C 13 52.652 0.1 . 1 . . . . -2 . . . 5752 1 6 . 1 1 3 3 MET C C 13 173.212 0.1 . 1 . . . . -2 . . . 5752 1 7 . 1 1 3 3 MET CB C 13 29.328 0.1 . 1 . . . . -2 . . . 5752 1 8 . 1 1 4 4 GLY H H 1 8.238 0.01 . 1 . . . . -1 . . . 5752 1 9 . 1 1 4 4 GLY N N 15 110.081 0.1 . 1 . . . . -1 . . . 5752 1 10 . 1 1 4 4 GLY CA C 13 42.638 0.1 . 1 . . . . -1 . . . 5752 1 11 . 1 1 4 4 GLY C C 13 174.568 0.1 . 1 . . . . -1 . . . 5752 1 12 . 1 1 5 5 SER H H 1 8.107 0.01 . 1 . . . . 142 . . . 5752 1 13 . 1 1 5 5 SER N N 15 115.806 0.1 . 1 . . . . 142 . . . 5752 1 14 . 1 1 5 5 SER CA C 13 55.442 0.1 . 1 . . . . 142 . . . 5752 1 15 . 1 1 5 5 SER C C 13 177.358 0.1 . 1 . . . . 142 . . . 5752 1 16 . 1 1 5 5 SER CB C 13 61.135 0.1 . 1 . . . . 142 . . . 5752 1 17 . 1 1 6 6 LEU H H 1 8.221 0.01 . 1 . . . . 143 . . . 5752 1 18 . 1 1 6 6 LEU N N 15 124.348 0.1 . 1 . . . . 143 . . . 5752 1 19 . 1 1 6 6 LEU CA C 13 52.231 0.1 . 1 . . . . 143 . . . 5752 1 20 . 1 1 6 6 LEU C C 13 177.666 0.1 . 1 . . . . 143 . . . 5752 1 21 . 1 1 6 6 LEU CB C 13 38.129 0.1 . 1 . . . . 143 . . . 5752 1 22 . 1 1 7 7 ILE H H 1 7.027 0.01 . 1 . . . . 144 . . . 5752 1 23 . 1 1 7 7 ILE N N 15 124.463 0.1 . 1 . . . . 144 . . . 5752 1 24 . 1 1 7 7 ILE CA C 13 57.201 0.1 . 1 . . . . 144 . . . 5752 1 25 . 1 1 7 7 ILE C C 13 175.898 0.1 . 1 . . . . 144 . . . 5752 1 26 . 1 1 7 7 ILE CB C 13 37.713 0.1 . 1 . . . . 144 . . . 5752 1 27 . 1 1 8 8 ASP H H 1 9.02 0.01 . 1 . . . . 145 . . . 5752 1 28 . 1 1 8 8 ASP N N 15 130.691 0.1 . 1 . . . . 145 . . . 5752 1 29 . 1 1 8 8 ASP CA C 13 51.156 0.1 . 1 . . . . 145 . . . 5752 1 30 . 1 1 8 8 ASP C C 13 176.888 0.1 . 1 . . . . 145 . . . 5752 1 31 . 1 1 8 8 ASP CB C 13 39.861 0.1 . 1 . . . . 145 . . . 5752 1 32 . 1 1 9 9 VAL H H 1 8.905 0.01 . 1 . . . . 146 . . . 5752 1 33 . 1 1 9 9 VAL N N 15 123.877 0.1 . 1 . . . . 146 . . . 5752 1 34 . 1 1 9 9 VAL CA C 13 57.216 0.1 . 1 . . . . 146 . . . 5752 1 35 . 1 1 9 9 VAL C C 13 177.779 0.1 . 1 . . . . 146 . . . 5752 1 36 . 1 1 9 9 VAL CB C 13 30.437 0.1 . 1 . . . . 146 . . . 5752 1 37 . 1 1 10 10 VAL H H 1 8.507 0.01 . 1 . . . . 147 . . . 5752 1 38 . 1 1 10 10 VAL N N 15 125.666 0.1 . 1 . . . . 147 . . . 5752 1 39 . 1 1 10 10 VAL CA C 13 58.118 0.1 . 1 . . . . 147 . . . 5752 1 40 . 1 1 10 10 VAL C C 13 177.723 0.1 . 1 . . . . 147 . . . 5752 1 41 . 1 1 10 10 VAL CB C 13 30.299 0.1 . 1 . . . . 147 . . . 5752 1 42 . 1 1 11 11 VAL H H 1 8.791 0.01 . 1 . . . . 148 . . . 5752 1 43 . 1 1 11 11 VAL N N 15 129.314 0.1 . 1 . . . . 148 . . . 5752 1 44 . 1 1 11 11 VAL CA C 13 58.347 0.1 . 1 . . . . 148 . . . 5752 1 45 . 1 1 11 11 VAL C C 13 176.194 0.1 . 1 . . . . 148 . . . 5752 1 46 . 1 1 11 11 VAL CB C 13 28.566 0.1 . 1 . . . . 148 . . . 5752 1 47 . 1 1 12 12 VAL H H 1 9.532 0.01 . 1 . . . . 149 . . . 5752 1 48 . 1 1 12 12 VAL N N 15 130.209 0.1 . 1 . . . . 149 . . . 5752 1 49 . 1 1 12 12 VAL CA C 13 58.615 0.1 . 1 . . . . 149 . . . 5752 1 50 . 1 1 12 12 VAL C C 13 178.167 0.1 . 1 . . . . 149 . . . 5752 1 51 . 1 1 12 12 VAL CB C 13 29.19 0.1 . 1 . . . . 149 . . . 5752 1 52 . 1 1 13 13 CYS H H 1 9.271 0.01 . 1 . . . . 150 . . . 5752 1 53 . 1 1 13 13 CYS N N 15 125.222 0.1 . 1 . . . . 150 . . . 5752 1 54 . 1 1 13 13 CYS CA C 13 55.862 0.1 . 1 . . . . 150 . . . 5752 1 55 . 1 1 13 13 CYS C C 13 177.486 0.1 . 1 . . . . 150 . . . 5752 1 56 . 1 1 13 13 CYS CB C 13 27.25 0.1 . 1 . . . . 150 . . . 5752 1 57 . 1 1 14 14 ASP H H 1 8.472 0.01 . 1 . . . . 151 . . . 5752 1 58 . 1 1 14 14 ASP N N 15 103.198 0.1 . 1 . . . . 151 . . . 5752 1 59 . 1 1 14 14 ASP CA C 13 51.429 0.1 . 1 . . . . 151 . . . 5752 1 60 . 1 1 14 14 ASP C C 13 179.14 0.1 . 1 . . . . 151 . . . 5752 1 61 . 1 1 14 14 ASP CB C 13 40 0.1 . 1 . . . . 151 . . . 5752 1 62 . 1 1 15 15 GLU H H 1 8.395 0.01 . 1 . . . . 152 . . . 5752 1 63 . 1 1 15 15 GLU N N 15 121.922 0.1 . 1 . . . . 152 . . . 5752 1 64 . 1 1 15 15 GLU CA C 13 49.938 0.1 . 1 . . . . 152 . . . 5752 1 65 . 1 1 15 15 GLU C C 13 177.778 0.1 . 1 . . . . 152 . . . 5752 1 66 . 1 1 15 15 GLU CB C 13 28.012 0.1 . 1 . . . . 152 . . . 5752 1 67 . 1 1 16 16 SER H H 1 9.386 0.01 . 1 . . . . 153 . . . 5752 1 68 . 1 1 16 16 SER N N 15 115.986 0.1 . 1 . . . . 153 . . . 5752 1 69 . 1 1 16 16 SER CA C 13 56.053 0.1 . 1 . . . . 153 . . . 5752 1 70 . 1 1 16 16 SER C C 13 175.721 0.1 . 1 . . . . 153 . . . 5752 1 71 . 1 1 16 16 SER CB C 13 61.135 0.1 . 1 . . . . 153 . . . 5752 1 72 . 1 1 17 17 ASN H H 1 8.175 0.01 . 1 . . . . 154 . . . 5752 1 73 . 1 1 17 17 ASN N N 15 115.799 0.1 . 1 . . . . 154 . . . 5752 1 74 . 1 1 17 17 ASN CA C 13 52.27 0.1 . 1 . . . . 154 . . . 5752 1 75 . 1 1 17 17 ASN C C 13 176.458 0.1 . 1 . . . . 154 . . . 5752 1 76 . 1 1 17 17 ASN CB C 13 35.634 0.1 . 1 . . . . 154 . . . 5752 1 77 . 1 1 18 18 SER H H 1 6.755 0.01 . 1 . . . . 155 . . . 5752 1 78 . 1 1 18 18 SER N N 15 112.749 0.1 . 1 . . . . 155 . . . 5752 1 79 . 1 1 18 18 SER CA C 13 56.551 0.1 . 1 . . . . 155 . . . 5752 1 80 . 1 1 18 18 SER C C 13 176.638 0.1 . 1 . . . . 155 . . . 5752 1 81 . 1 1 18 18 SER CB C 13 58.156 0.1 . 1 . . . . 155 . . . 5752 1 82 . 1 1 19 19 ILE H H 1 6.733 0.01 . 1 . . . . 156 . . . 5752 1 83 . 1 1 19 19 ILE N N 15 124.685 0.1 . 1 . . . . 156 . . . 5752 1 84 . 1 1 19 19 ILE CA C 13 58.232 0.1 . 1 . . . . 156 . . . 5752 1 85 . 1 1 19 19 ILE C C 13 177.611 0.1 . 1 . . . . 156 . . . 5752 1 86 . 1 1 19 19 ILE CB C 13 34.11 0.1 . 1 . . . . 156 . . . 5752 1 87 . 1 1 20 20 TYR H H 1 9.163 0.01 . 1 . . . . 157 . . . 5752 1 88 . 1 1 20 20 TYR N N 15 128.376 0.1 . 1 . . . . 157 . . . 5752 1 89 . 1 1 20 20 TYR CA C 13 53.236 0.1 . 1 . . . . 157 . . . 5752 1 90 . 1 1 20 20 TYR C C 13 175.04 0.1 . 1 . . . . 157 . . . 5752 1 91 . 1 1 20 20 TYR CB C 13 39.168 0.1 . 1 . . . . 157 . . . 5752 1 92 . 1 1 21 21 PRO CB C 13 29.883 0.1 . 1 . . . . 158 . . . 5752 1 93 . 1 1 21 21 PRO C C 13 179.933 0.1 . 1 . . . . 158 . . . 5752 1 94 . 1 1 21 21 PRO CA C 13 59.472 0.1 . 1 . . . . 158 . . . 5752 1 95 . 1 1 22 22 TRP H H 1 9.08 0.01 . 1 . . . . 159 . . . 5752 1 96 . 1 1 22 22 TRP N N 15 124.828 0.1 . 1 . . . . 159 . . . 5752 1 97 . 1 1 22 22 TRP CA C 13 56.268 0.1 . 1 . . . . 159 . . . 5752 1 98 . 1 1 22 22 TRP C C 13 173.979 0.1 . 1 . . . . 159 . . . 5752 1 99 . 1 1 22 22 TRP CB C 13 26.557 0.1 . 1 . . . . 159 . . . 5752 1 100 . 1 1 23 23 ASP H H 1 8.5 0.01 . 1 . . . . 160 . . . 5752 1 101 . 1 1 23 23 ASP N N 15 114.918 0.1 . 1 . . . . 160 . . . 5752 1 102 . 1 1 23 23 ASP CA C 13 54.117 0.1 . 1 . . . . 160 . . . 5752 1 103 . 1 1 23 23 ASP C C 13 173.425 0.1 . 1 . . . . 160 . . . 5752 1 104 . 1 1 23 23 ASP CB C 13 37.367 0.1 . 1 . . . . 160 . . . 5752 1 105 . 1 1 24 24 ALA H H 1 7.127 0.01 . 1 . . . . 161 . . . 5752 1 106 . 1 1 24 24 ALA N N 15 118.928 0.1 . 1 . . . . 161 . . . 5752 1 107 . 1 1 24 24 ALA CA C 13 51.834 0.1 . 1 . . . . 161 . . . 5752 1 108 . 1 1 24 24 ALA C C 13 174.342 0.1 . 1 . . . . 161 . . . 5752 1 109 . 1 1 24 24 ALA CB C 13 15.331 0.1 . 1 . . . . 161 . . . 5752 1 110 . 1 1 25 25 VAL H H 1 6.856 0.01 . 1 . . . . 162 . . . 5752 1 111 . 1 1 25 25 VAL N N 15 120.675 0.1 . 1 . . . . 162 . . . 5752 1 112 . 1 1 25 25 VAL CA C 13 63.049 0.1 . 1 . . . . 162 . . . 5752 1 113 . 1 1 25 25 VAL C C 13 170.234 0.1 . 1 . . . . 162 . . . 5752 1 114 . 1 1 25 25 VAL CB C 13 27.111 0.1 . 1 . . . . 162 . . . 5752 1 115 . 1 1 26 26 LYS H H 1 7.134 0.01 . 1 . . . . 163 . . . 5752 1 116 . 1 1 26 26 LYS N N 15 118.606 0.1 . 1 . . . . 163 . . . 5752 1 117 . 1 1 26 26 LYS CA C 13 58.156 0.1 . 1 . . . . 163 . . . 5752 1 118 . 1 1 26 26 LYS C C 13 173.313 0.1 . 1 . . . . 163 . . . 5752 1 119 . 1 1 26 26 LYS CB C 13 27.665 0.1 . 1 . . . . 163 . . . 5752 1 120 . 1 1 27 27 ASN H H 1 8.174 0.01 . 1 . . . . 164 . . . 5752 1 121 . 1 1 27 27 ASN N N 15 116.738 0.1 . 1 . . . . 164 . . . 5752 1 122 . 1 1 27 27 ASN CA C 13 52.805 0.1 . 1 . . . . 164 . . . 5752 1 123 . 1 1 27 27 ASN C C 13 172.513 0.1 . 1 . . . . 164 . . . 5752 1 124 . 1 1 27 27 ASN CB C 13 34.664 0.1 . 1 . . . . 164 . . . 5752 1 125 . 1 1 28 28 PHE H H 1 7.325 0.01 . 1 . . . . 165 . . . 5752 1 126 . 1 1 28 28 PHE N N 15 121.213 0.1 . 1 . . . . 165 . . . 5752 1 127 . 1 1 28 28 PHE CA C 13 58.138 0.1 . 1 . . . . 165 . . . 5752 1 128 . 1 1 28 28 PHE C C 13 173.392 0.1 . 1 . . . . 165 . . . 5752 1 129 . 1 1 28 28 PHE CB C 13 35.219 0.1 . 1 . . . . 165 . . . 5752 1 130 . 1 1 29 29 LEU H H 1 8.196 0.01 . 1 . . . . 166 . . . 5752 1 131 . 1 1 29 29 LEU N N 15 119.973 0.1 . 1 . . . . 166 . . . 5752 1 132 . 1 1 29 29 LEU CA C 13 55.103 0.1 . 1 . . . . 166 . . . 5752 1 133 . 1 1 29 29 LEU C C 13 176.445 0.1 . 1 . . . . 166 . . . 5752 1 134 . 1 1 29 29 LEU CB C 13 38.683 0.1 . 1 . . . . 166 . . . 5752 1 135 . 1 1 30 30 GLU H H 1 8.065 0.01 . 1 . . . . 167 . . . 5752 1 136 . 1 1 30 30 GLU N N 15 117.582 0.1 . 1 . . . . 167 . . . 5752 1 137 . 1 1 30 30 GLU CA C 13 56.948 0.1 . 1 . . . . 167 . . . 5752 1 138 . 1 1 30 30 GLU C C 13 173.166 0.1 . 1 . . . . 167 . . . 5752 1 139 . 1 1 30 30 GLU CB C 13 26.349 0.1 . 1 . . . . 167 . . . 5752 1 140 . 1 1 31 31 LYS H H 1 7.598 0.01 . 1 . . . . 168 . . . 5752 1 141 . 1 1 31 31 LYS N N 15 117.575 0.1 . 1 . . . . 168 . . . 5752 1 142 . 1 1 31 31 LYS CA C 13 55.205 0.1 . 1 . . . . 168 . . . 5752 1 143 . 1 1 31 31 LYS C C 13 173.75 0.1 . 1 . . . . 168 . . . 5752 1 144 . 1 1 31 31 LYS CB C 13 28.428 0.1 . 1 . . . . 168 . . . 5752 1 145 . 1 1 32 32 PHE H H 1 8.314 0.01 . 1 . . . . 169 . . . 5752 1 146 . 1 1 32 32 PHE N N 15 120.324 0.1 . 1 . . . . 169 . . . 5752 1 147 . 1 1 32 32 PHE CA C 13 56.563 0.1 . 1 . . . . 169 . . . 5752 1 148 . 1 1 32 32 PHE C C 13 172.521 0.1 . 1 . . . . 169 . . . 5752 1 149 . 1 1 32 32 PHE CB C 13 35.496 0.1 . 1 . . . . 169 . . . 5752 1 150 . 1 1 33 33 VAL H H 1 7.815 0.01 . 1 . . . . 170 . . . 5752 1 151 . 1 1 33 33 VAL N N 15 116.831 0.1 . 1 . . . . 170 . . . 5752 1 152 . 1 1 33 33 VAL CA C 13 63.087 0.1 . 1 . . . . 170 . . . 5752 1 153 . 1 1 33 33 VAL C C 13 174.365 0.1 . 1 . . . . 170 . . . 5752 1 154 . 1 1 33 33 VAL CB C 13 27.735 0.1 . 1 . . . . 170 . . . 5752 1 155 . 1 1 34 34 GLN H H 1 8.009 0.01 . 1 . . . . 171 . . . 5752 1 156 . 1 1 34 34 GLN N N 15 116.064 0.1 . 1 . . . . 171 . . . 5752 1 157 . 1 1 34 34 GLN CA C 13 55.748 0.1 . 1 . . . . 171 . . . 5752 1 158 . 1 1 34 34 GLN C C 13 173.409 0.1 . 1 . . . . 171 . . . 5752 1 159 . 1 1 34 34 GLN CB C 13 25.101 0.1 . 1 . . . . 171 . . . 5752 1 160 . 1 1 35 35 GLY H H 1 7.14 0.01 . 1 . . . . 172 . . . 5752 1 161 . 1 1 35 35 GLY N N 15 104.356 0.1 . 1 . . . . 172 . . . 5752 1 162 . 1 1 35 35 GLY CA C 13 42.166 0.1 . 1 . . . . 172 . . . 5752 1 163 . 1 1 35 35 GLY C C 13 173.286 0.1 . 1 . . . . 172 . . . 5752 1 164 . 1 1 36 36 LEU H H 1 7.241 0.01 . 1 . . . . 173 . . . 5752 1 165 . 1 1 36 36 LEU N N 15 120.238 0.1 . 1 . . . . 173 . . . 5752 1 166 . 1 1 36 36 LEU CA C 13 50.63 0.1 . 1 . . . . 173 . . . 5752 1 167 . 1 1 36 36 LEU C C 13 177.6 0.1 . 1 . . . . 173 . . . 5752 1 168 . 1 1 36 36 LEU CB C 13 40.693 0.1 . 1 . . . . 173 . . . 5752 1 169 . 1 1 37 37 ASP H H 1 8.747 0.01 . 1 . . . . 174 . . . 5752 1 170 . 1 1 37 37 ASP N N 15 121.914 0.1 . 1 . . . . 174 . . . 5752 1 171 . 1 1 37 37 ASP CA C 13 49.862 0.1 . 1 . . . . 174 . . . 5752 1 172 . 1 1 37 37 ASP C C 13 175.641 0.1 . 1 . . . . 174 . . . 5752 1 173 . 1 1 37 37 ASP CB C 13 37.02 0.1 . 1 . . . . 174 . . . 5752 1 174 . 1 1 38 38 ILE H H 1 7.218 0.01 . 1 . . . . 175 . . . 5752 1 175 . 1 1 38 38 ILE N N 15 123.146 0.1 . 1 . . . . 175 . . . 5752 1 176 . 1 1 38 38 ILE CA C 13 55 0.1 . 1 . . . . 175 . . . 5752 1 177 . 1 1 38 38 ILE C C 13 176.657 0.1 . 1 . . . . 175 . . . 5752 1 178 . 1 1 38 38 ILE CB C 13 35.149 0.1 . 1 . . . . 175 . . . 5752 1 179 . 1 1 39 39 GLY H H 1 8.569 0.01 . 1 . . . . 176 . . . 5752 1 180 . 1 1 39 39 GLY N N 15 115.376 0.1 . 1 . . . . 176 . . . 5752 1 181 . 1 1 39 39 GLY CA C 13 42.714 0.1 . 1 . . . . 176 . . . 5752 1 182 . 1 1 39 39 GLY C C 13 173.421 0.1 . 1 . . . . 176 . . . 5752 1 183 . 1 1 40 40 PRO CA C 13 57.862 0.1 . 1 . . . . 177 . . . 5752 1 184 . 1 1 40 40 PRO CB C 13 30.784 0.1 . 1 . . . . 177 . . . 5752 1 185 . 1 1 40 40 PRO C C 13 176.738 0.1 . 1 . . . . 177 . . . 5752 1 186 . 1 1 41 41 THR H H 1 8.073 0.01 . 1 . . . . 178 . . . 5752 1 187 . 1 1 41 41 THR N N 15 119.179 0.1 . 1 . . . . 178 . . . 5752 1 188 . 1 1 41 41 THR CA C 13 57.926 0.1 . 1 . . . . 178 . . . 5752 1 189 . 1 1 41 41 THR C C 13 176.87 0.1 . 1 . . . . 178 . . . 5752 1 190 . 1 1 41 41 THR CB C 13 65.847 0.1 . 1 . . . . 178 . . . 5752 1 191 . 1 1 42 42 LYS H H 1 7.547 0.01 . 1 . . . . 179 . . . 5752 1 192 . 1 1 42 42 LYS N N 15 124.155 0.1 . 1 . . . . 179 . . . 5752 1 193 . 1 1 42 42 LYS CA C 13 52.499 0.1 . 1 . . . . 179 . . . 5752 1 194 . 1 1 42 42 LYS C C 13 178.157 0.1 . 1 . . . . 179 . . . 5752 1 195 . 1 1 42 42 LYS CB C 13 29.883 0.1 . 1 . . . . 179 . . . 5752 1 196 . 1 1 43 43 THR H H 1 8.898 0.01 . 1 . . . . 180 . . . 5752 1 197 . 1 1 43 43 THR N N 15 124.85 0.1 . 1 . . . . 180 . . . 5752 1 198 . 1 1 43 43 THR CA C 13 60.73 0.1 . 1 . . . . 180 . . . 5752 1 199 . 1 1 43 43 THR C C 13 174.433 0.1 . 1 . . . . 180 . . . 5752 1 200 . 1 1 43 43 THR CB C 13 65.709 0.1 . 1 . . . . 180 . . . 5752 1 201 . 1 1 44 44 GLN H H 1 8.615 0.01 . 1 . . . . 181 . . . 5752 1 202 . 1 1 44 44 GLN N N 15 123.627 0.1 . 1 . . . . 181 . . . 5752 1 203 . 1 1 44 44 GLN CA C 13 51.365 0.1 . 1 . . . . 181 . . . 5752 1 204 . 1 1 44 44 GLN C C 13 178.571 0.1 . 1 . . . . 181 . . . 5752 1 205 . 1 1 44 44 GLN CB C 13 31.13 0.1 . 1 . . . . 181 . . . 5752 1 206 . 1 1 45 45 VAL H H 1 7.812 0.01 . 1 . . . . 182 . . . 5752 1 207 . 1 1 45 45 VAL N N 15 119.376 0.1 . 1 . . . . 182 . . . 5752 1 208 . 1 1 45 45 VAL CA C 13 57.108 0.1 . 1 . . . . 182 . . . 5752 1 209 . 1 1 45 45 VAL C C 13 176.991 0.1 . 1 . . . . 182 . . . 5752 1 210 . 1 1 45 45 VAL CB C 13 31.892 0.1 . 1 . . . . 182 . . . 5752 1 211 . 1 1 46 46 GLY H H 1 8.762 0.01 . 1 . . . . 183 . . . 5752 1 212 . 1 1 46 46 GLY N N 15 110.468 0.1 . 1 . . . . 183 . . . 5752 1 213 . 1 1 46 46 GLY CA C 13 39.961 0.1 . 1 . . . . 183 . . . 5752 1 214 . 1 1 46 46 GLY C C 13 177.313 0.1 . 1 . . . . 183 . . . 5752 1 215 . 1 1 47 47 LEU H H 1 7.866 0.01 . 1 . . . . 184 . . . 5752 1 216 . 1 1 47 47 LEU N N 15 121.914 0.1 . 1 . . . . 184 . . . 5752 1 217 . 1 1 47 47 LEU CA C 13 51.085 0.1 . 1 . . . . 184 . . . 5752 1 218 . 1 1 47 47 LEU C C 13 180.45 0.1 . 1 . . . . 184 . . . 5752 1 219 . 1 1 47 47 LEU CB C 13 41.663 0.1 . 1 . . . . 184 . . . 5752 1 220 . 1 1 48 48 ILE H H 1 9.486 0.01 . 1 . . . . 185 . . . 5752 1 221 . 1 1 48 48 ILE N N 15 130.316 0.1 . 1 . . . . 185 . . . 5752 1 222 . 1 1 48 48 ILE CA C 13 55.939 0.1 . 1 . . . . 185 . . . 5752 1 223 . 1 1 48 48 ILE C C 13 178.012 0.1 . 1 . . . . 185 . . . 5752 1 224 . 1 1 48 48 ILE CB C 13 38.337 0.1 . 1 . . . . 185 . . . 5752 1 225 . 1 1 49 49 GLN H H 1 8.481 0.01 . 1 . . . . 186 . . . 5752 1 226 . 1 1 49 49 GLN N N 15 123.826 0.1 . 1 . . . . 186 . . . 5752 1 227 . 1 1 49 49 GLN CA C 13 50.168 0.1 . 1 . . . . 186 . . . 5752 1 228 . 1 1 49 49 GLN C C 13 175.731 0.1 . 1 . . . . 186 . . . 5752 1 229 . 1 1 49 49 GLN CB C 13 29.19 0.1 . 1 . . . . 186 . . . 5752 1 230 . 1 1 50 50 TYR H H 1 8.529 0.01 . 1 . . . . 187 . . . 5752 1 231 . 1 1 50 50 TYR N N 15 117.411 0.1 . 1 . . . . 187 . . . 5752 1 232 . 1 1 50 50 TYR CA C 13 53.619 0.1 . 1 . . . . 187 . . . 5752 1 233 . 1 1 50 50 TYR C C 13 176.364 0.1 . 1 . . . . 187 . . . 5752 1 234 . 1 1 50 50 TYR CB C 13 40.97 0.1 . 1 . . . . 187 . . . 5752 1 235 . 1 1 51 51 ALA H H 1 6.52 0.01 . 1 . . . . 188 . . . 5752 1 236 . 1 1 51 51 ALA N N 15 122.208 0.1 . 1 . . . . 188 . . . 5752 1 237 . 1 1 51 51 ALA CA C 13 52.958 0.1 . 1 . . . . 188 . . . 5752 1 238 . 1 1 51 51 ALA C C 13 178.895 0.1 . 1 . . . . 188 . . . 5752 1 239 . 1 1 51 51 ALA CB C 13 14.568 0.1 . 1 . . . . 188 . . . 5752 1 240 . 1 1 52 52 ASN H H 1 8.689 0.01 . 1 . . . . 189 . . . 5752 1 241 . 1 1 52 52 ASN N N 15 123.826 0.1 . 1 . . . . 189 . . . 5752 1 242 . 1 1 52 52 ASN CA C 13 53.875 0.1 . 1 . . . . 189 . . . 5752 1 243 . 1 1 52 52 ASN C C 13 174.493 0.1 . 1 . . . . 189 . . . 5752 1 244 . 1 1 52 52 ASN CB C 13 33.417 0.1 . 1 . . . . 189 . . . 5752 1 245 . 1 1 53 53 ASN H H 1 8.293 0.01 . 1 . . . . 190 . . . 5752 1 246 . 1 1 53 53 ASN N N 15 112.606 0.1 . 1 . . . . 190 . . . 5752 1 247 . 1 1 53 53 ASN CA C 13 48.065 0.1 . 1 . . . . 190 . . . 5752 1 248 . 1 1 53 53 ASN C C 13 176.153 0.1 . 1 . . . . 190 . . . 5752 1 249 . 1 1 53 53 ASN CB C 13 38.545 0.1 . 1 . . . . 190 . . . 5752 1 250 . 1 1 54 54 PRO CA C 13 58.363 0.1 . 1 . . . . 191 . . . 5752 1 251 . 1 1 54 54 PRO CB C 13 28.913 0.1 . 1 . . . . 191 . . . 5752 1 252 . 1 1 54 54 PRO C C 13 177.605 0.1 . 1 . . . . 191 . . . 5752 1 253 . 1 1 55 55 ARG H H 1 9.103 0.01 . 1 . . . . 192 . . . 5752 1 254 . 1 1 55 55 ARG N N 15 119.126 0.1 . 1 . . . . 192 . . . 5752 1 255 . 1 1 55 55 ARG CA C 13 51.254 0.1 . 1 . . . . 192 . . . 5752 1 256 . 1 1 55 55 ARG C C 13 176.012 0.1 . 1 . . . . 192 . . . 5752 1 257 . 1 1 55 55 ARG CB C 13 28.982 0.1 . 1 . . . . 192 . . . 5752 1 258 . 1 1 56 56 VAL H H 1 8.603 0.01 . 1 . . . . 193 . . . 5752 1 259 . 1 1 56 56 VAL N N 15 123.439 0.1 . 1 . . . . 193 . . . 5752 1 260 . 1 1 56 56 VAL CA C 13 60.717 0.1 . 1 . . . . 193 . . . 5752 1 261 . 1 1 56 56 VAL C C 13 177.798 0.1 . 1 . . . . 193 . . . 5752 1 262 . 1 1 56 56 VAL CB C 13 29.051 0.1 . 1 . . . . 193 . . . 5752 1 263 . 1 1 57 57 VAL H H 1 9.154 0.01 . 1 . . . . 194 . . . 5752 1 264 . 1 1 57 57 VAL N N 15 132.503 0.1 . 1 . . . . 194 . . . 5752 1 265 . 1 1 57 57 VAL CA C 13 62.246 0.1 . 1 . . . . 194 . . . 5752 1 266 . 1 1 57 57 VAL C C 13 174.501 0.1 . 1 . . . . 194 . . . 5752 1 267 . 1 1 57 57 VAL CB C 13 28.705 0.1 . 1 . . . . 194 . . . 5752 1 268 . 1 1 58 58 PHE H H 1 7.611 0.01 . 1 . . . . 195 . . . 5752 1 269 . 1 1 58 58 PHE N N 15 111.847 0.1 . 1 . . . . 195 . . . 5752 1 270 . 1 1 58 58 PHE CA C 13 54.028 0.1 . 1 . . . . 195 . . . 5752 1 271 . 1 1 58 58 PHE C C 13 173.668 0.1 . 1 . . . . 195 . . . 5752 1 272 . 1 1 58 58 PHE CB C 13 37.367 0.1 . 1 . . . . 195 . . . 5752 1 273 . 1 1 59 59 ASN H H 1 8.656 0.01 . 1 . . . . 196 . . . 5752 1 274 . 1 1 59 59 ASN N N 15 119.487 0.1 . 1 . . . . 196 . . . 5752 1 275 . 1 1 59 59 ASN CA C 13 49.174 0.1 . 1 . . . . 196 . . . 5752 1 276 . 1 1 59 59 ASN C C 13 177.471 0.1 . 1 . . . . 196 . . . 5752 1 277 . 1 1 59 59 ASN CB C 13 38.683 0.1 . 1 . . . . 196 . . . 5752 1 278 . 1 1 60 60 LEU H H 1 8.823 0.01 . 1 . . . . 197 . . . 5752 1 279 . 1 1 60 60 LEU N N 15 121.07 0.1 . 1 . . . . 197 . . . 5752 1 280 . 1 1 60 60 LEU CA C 13 55.088 0.1 . 1 . . . . 197 . . . 5752 1 281 . 1 1 60 60 LEU C C 13 175 0.1 . 1 . . . . 197 . . . 5752 1 282 . 1 1 60 60 LEU CB C 13 39.03 0.1 . 1 . . . . 197 . . . 5752 1 283 . 1 1 61 61 ASN H H 1 7.29 0.01 . 1 . . . . 198 . . . 5752 1 284 . 1 1 61 61 ASN N N 15 108.574 0.1 . 1 . . . . 198 . . . 5752 1 285 . 1 1 61 61 ASN CA C 13 48.155 0.1 . 1 . . . . 198 . . . 5752 1 286 . 1 1 61 61 ASN C C 13 174.611 0.1 . 1 . . . . 198 . . . 5752 1 287 . 1 1 61 61 ASN CB C 13 35.357 0.1 . 1 . . . . 198 . . . 5752 1 288 . 1 1 62 62 THR H H 1 7.801 0.01 . 1 . . . . 199 . . . 5752 1 289 . 1 1 62 62 THR N N 15 119.62 0.1 . 1 . . . . 199 . . . 5752 1 290 . 1 1 62 62 THR CA C 13 64.63 0.1 . 1 . . . . 199 . . . 5752 1 291 . 1 1 62 62 THR C C 13 174.296 0.1 . 1 . . . . 199 . . . 5752 1 292 . 1 1 62 62 THR CB C 13 66.125 0.1 . 1 . . . . 199 . . . 5752 1 293 . 1 1 63 63 TYR H H 1 9.096 0.01 . 1 . . . . 200 . . . 5752 1 294 . 1 1 63 63 TYR N N 15 119.2 0.1 . 1 . . . . 200 . . . 5752 1 295 . 1 1 63 63 TYR CA C 13 53.799 0.1 . 1 . . . . 200 . . . 5752 1 296 . 1 1 63 63 TYR C C 13 177.008 0.1 . 1 . . . . 200 . . . 5752 1 297 . 1 1 63 63 TYR CB C 13 36.258 0.1 . 1 . . . . 200 . . . 5752 1 298 . 1 1 64 64 LYS H H 1 8.89 0.01 . 1 . . . . 201 . . . 5752 1 299 . 1 1 64 64 LYS N N 15 120.31 0.1 . 1 . . . . 201 . . . 5752 1 300 . 1 1 64 64 LYS CA C 13 54.104 0.1 . 1 . . . . 201 . . . 5752 1 301 . 1 1 64 64 LYS C C 13 176.008 0.1 . 1 . . . . 201 . . . 5752 1 302 . 1 1 64 64 LYS CB C 13 30.784 0.1 . 1 . . . . 201 . . . 5752 1 303 . 1 1 65 65 THR H H 1 7.198 0.01 . 1 . . . . 202 . . . 5752 1 304 . 1 1 65 65 THR N N 15 104.671 0.1 . 1 . . . . 202 . . . 5752 1 305 . 1 1 65 65 THR CA C 13 55.786 0.1 . 1 . . . . 202 . . . 5752 1 306 . 1 1 65 65 THR C C 13 175.204 0.1 . 1 . . . . 202 . . . 5752 1 307 . 1 1 65 65 THR CB C 13 69.867 0.1 . 1 . . . . 202 . . . 5752 1 308 . 1 1 66 66 LYS H H 1 8.995 0.01 . 1 . . . . 203 . . . 5752 1 309 . 1 1 66 66 LYS N N 15 122.995 0.1 . 1 . . . . 203 . . . 5752 1 310 . 1 1 66 66 LYS CA C 13 56.55 0.1 . 1 . . . . 203 . . . 5752 1 311 . 1 1 66 66 LYS C C 13 176.918 0.1 . 1 . . . . 203 . . . 5752 1 312 . 1 1 66 66 LYS CB C 13 29.121 0.1 . 1 . . . . 203 . . . 5752 1 313 . 1 1 67 67 GLU H H 1 8.986 0.01 . 1 . . . . 204 . . . 5752 1 314 . 1 1 67 67 GLU N N 15 117.439 0.1 . 1 . . . . 204 . . . 5752 1 315 . 1 1 67 67 GLU CA C 13 58.156 0.1 . 1 . . . . 204 . . . 5752 1 316 . 1 1 67 67 GLU C C 13 173.794 0.1 . 1 . . . . 204 . . . 5752 1 317 . 1 1 67 67 GLU CB C 13 25.24 0.1 . 1 . . . . 204 . . . 5752 1 318 . 1 1 68 68 GLU H H 1 7.279 0.01 . 1 . . . . 205 . . . 5752 1 319 . 1 1 68 68 GLU N N 15 116.68 0.1 . 1 . . . . 205 . . . 5752 1 320 . 1 1 68 68 GLU CA C 13 55.498 0.1 . 1 . . . . 205 . . . 5752 1 321 . 1 1 68 68 GLU C C 13 171.64 0.1 . 1 . . . . 205 . . . 5752 1 322 . 1 1 68 68 GLU CB C 13 27.596 0.1 . 1 . . . . 205 . . . 5752 1 323 . 1 1 69 69 MET H H 1 7.243 0.01 . 1 . . . . 206 . . . 5752 1 324 . 1 1 69 69 MET N N 15 120.126 0.1 . 1 . . . . 206 . . . 5752 1 325 . 1 1 69 69 MET CA C 13 55.603 0.1 . 1 . . . . 206 . . . 5752 1 326 . 1 1 69 69 MET C C 13 172.815 0.1 . 1 . . . . 206 . . . 5752 1 327 . 1 1 69 69 MET CB C 13 30.368 0.1 . 1 . . . . 206 . . . 5752 1 328 . 1 1 70 70 ILE H H 1 8.363 0.01 . 1 . . . . 207 . . . 5752 1 329 . 1 1 70 70 ILE N N 15 120.376 0.1 . 1 . . . . 207 . . . 5752 1 330 . 1 1 70 70 ILE CA C 13 61.568 0.1 . 1 . . . . 207 . . . 5752 1 331 . 1 1 70 70 ILE C C 13 173.168 0.1 . 1 . . . . 207 . . . 5752 1 332 . 1 1 70 70 ILE CB C 13 34.11 0.1 . 1 . . . . 207 . . . 5752 1 333 . 1 1 71 71 VAL H H 1 7.021 0.01 . 1 . . . . 208 . . . 5752 1 334 . 1 1 71 71 VAL N N 15 120.94 0.1 . 1 . . . . 208 . . . 5752 1 335 . 1 1 71 71 VAL CA C 13 63.546 0.1 . 1 . . . . 208 . . . 5752 1 336 . 1 1 71 71 VAL C C 13 172.347 0.1 . 1 . . . . 208 . . . 5752 1 337 . 1 1 71 71 VAL CB C 13 27.873 0.1 . 1 . . . . 208 . . . 5752 1 338 . 1 1 72 72 ALA H H 1 7.031 0.01 . 1 . . . . 209 . . . 5752 1 339 . 1 1 72 72 ALA N N 15 121.693 0.1 . 1 . . . . 209 . . . 5752 1 340 . 1 1 72 72 ALA CA C 13 52.614 0.1 . 1 . . . . 209 . . . 5752 1 341 . 1 1 72 72 ALA C C 13 171.946 0.1 . 1 . . . . 209 . . . 5752 1 342 . 1 1 72 72 ALA CB C 13 16.231 0.1 . 1 . . . . 209 . . . 5752 1 343 . 1 1 73 73 THR H H 1 8.452 0.01 . 1 . . . . 210 . . . 5752 1 344 . 1 1 73 73 THR N N 15 112.57 0.1 . 1 . . . . 210 . . . 5752 1 345 . 1 1 73 73 THR CA C 13 63.66 0.1 . 1 . . . . 210 . . . 5752 1 346 . 1 1 73 73 THR C C 13 175.892 0.1 . 1 . . . . 210 . . . 5752 1 347 . 1 1 73 73 THR CB C 13 65.362 0.1 . 1 . . . . 210 . . . 5752 1 348 . 1 1 74 74 SER H H 1 7.738 0.01 . 1 . . . . 211 . . . 5752 1 349 . 1 1 74 74 SER N N 15 115.749 0.1 . 1 . . . . 211 . . . 5752 1 350 . 1 1 74 74 SER CA C 13 58.041 0.1 . 1 . . . . 211 . . . 5752 1 351 . 1 1 74 74 SER C C 13 175.323 0.1 . 1 . . . . 211 . . . 5752 1 352 . 1 1 74 74 SER CB C 13 60.927 0.1 . 1 . . . . 211 . . . 5752 1 353 . 1 1 75 75 GLN H H 1 7.214 0.01 . 1 . . . . 212 . . . 5752 1 354 . 1 1 75 75 GLN N N 15 118.427 0.1 . 1 . . . . 212 . . . 5752 1 355 . 1 1 75 75 GLN CA C 13 51.964 0.1 . 1 . . . . 212 . . . 5752 1 356 . 1 1 75 75 GLN C C 13 176.048 0.1 . 1 . . . . 212 . . . 5752 1 357 . 1 1 75 75 GLN CB C 13 26.695 0.1 . 1 . . . . 212 . . . 5752 1 358 . 1 1 76 76 THR H H 1 7.118 0.01 . 1 . . . . 213 . . . 5752 1 359 . 1 1 76 76 THR N N 15 115.341 0.1 . 1 . . . . 213 . . . 5752 1 360 . 1 1 76 76 THR CA C 13 59.341 0.1 . 1 . . . . 213 . . . 5752 1 361 . 1 1 76 76 THR C C 13 174.728 0.1 . 1 . . . . 213 . . . 5752 1 362 . 1 1 76 76 THR CB C 13 66.956 0.1 . 1 . . . . 213 . . . 5752 1 363 . 1 1 77 77 SER H H 1 8.608 0.01 . 1 . . . . 214 . . . 5752 1 364 . 1 1 77 77 SER N N 15 123.926 0.1 . 1 . . . . 214 . . . 5752 1 365 . 1 1 77 77 SER CA C 13 54.56 0.1 . 1 . . . . 214 . . . 5752 1 366 . 1 1 77 77 SER C C 13 177.005 0.1 . 1 . . . . 214 . . . 5752 1 367 . 1 1 77 77 SER CB C 13 63.076 0.1 . 1 . . . . 214 . . . 5752 1 368 . 1 1 78 78 GLN H H 1 7.725 0.01 . 1 . . . . 215 . . . 5752 1 369 . 1 1 78 78 GLN N N 15 121.585 0.1 . 1 . . . . 215 . . . 5752 1 370 . 1 1 78 78 GLN CA C 13 50.32 0.1 . 1 . . . . 215 . . . 5752 1 371 . 1 1 78 78 GLN C C 13 180.375 0.1 . 1 . . . . 215 . . . 5752 1 372 . 1 1 78 78 GLN CB C 13 24.616 0.1 . 1 . . . . 215 . . . 5752 1 373 . 1 1 79 79 TYR H H 1 8.92 0.01 . 1 . . . . 216 . . . 5752 1 374 . 1 1 79 79 TYR N N 15 130.82 0.1 . 1 . . . . 216 . . . 5752 1 375 . 1 1 79 79 TYR CA C 13 55.71 0.1 . 1 . . . . 216 . . . 5752 1 376 . 1 1 79 79 TYR C C 13 175.44 0.1 . 1 . . . . 216 . . . 5752 1 377 . 1 1 79 79 TYR CB C 13 34.872 0.1 . 1 . . . . 216 . . . 5752 1 378 . 1 1 80 80 GLY H H 1 6.673 0.01 . 1 . . . . 217 . . . 5752 1 379 . 1 1 80 80 GLY N N 15 104.116 0.1 . 1 . . . . 217 . . . 5752 1 380 . 1 1 80 80 GLY CA C 13 41.797 0.1 . 1 . . . . 217 . . . 5752 1 381 . 1 1 80 80 GLY C C 13 173.79 0.1 . 1 . . . . 217 . . . 5752 1 382 . 1 1 81 81 GLY H H 1 7.063 0.01 . 1 . . . . 218 . . . 5752 1 383 . 1 1 81 81 GLY N N 15 104.157 0.1 . 1 . . . . 218 . . . 5752 1 384 . 1 1 81 81 GLY CA C 13 42.243 0.1 . 1 . . . . 218 . . . 5752 1 385 . 1 1 81 81 GLY C C 13 178.517 0.1 . 1 . . . . 218 . . . 5752 1 386 . 1 1 82 82 ASP H H 1 8.549 0.01 . 1 . . . . 219 . . . 5752 1 387 . 1 1 82 82 ASP N N 15 119.58 0.1 . 1 . . . . 219 . . . 5752 1 388 . 1 1 82 82 ASP CA C 13 51.396 0.1 . 1 . . . . 219 . . . 5752 1 389 . 1 1 82 82 ASP C C 13 177.747 0.1 . 1 . . . . 219 . . . 5752 1 390 . 1 1 82 82 ASP CB C 13 38.822 0.1 . 1 . . . . 219 . . . 5752 1 391 . 1 1 83 83 LEU H H 1 7.703 0.01 . 1 . . . . 220 . . . 5752 1 392 . 1 1 83 83 LEU N N 15 122.516 0.1 . 1 . . . . 220 . . . 5752 1 393 . 1 1 83 83 LEU CA C 13 50.493 0.1 . 1 . . . . 220 . . . 5752 1 394 . 1 1 83 83 LEU C C 13 175 0.1 . 1 . . . . 220 . . . 5752 1 395 . 1 1 83 83 LEU CB C 13 40.762 0.1 . 1 . . . . 220 . . . 5752 1 396 . 1 1 84 84 THR H H 1 10.011 0.01 . 1 . . . . 221 . . . 5752 1 397 . 1 1 84 84 THR N N 15 118.534 0.1 . 1 . . . . 221 . . . 5752 1 398 . 1 1 84 84 THR CA C 13 57.274 0.1 . 1 . . . . 221 . . . 5752 1 399 . 1 1 84 84 THR C C 13 176.622 0.1 . 1 . . . . 221 . . . 5752 1 400 . 1 1 84 84 THR CB C 13 65.917 0.1 . 1 . . . . 221 . . . 5752 1 401 . 1 1 85 85 ASN H H 1 8.158 0.01 . 1 . . . . 222 . . . 5752 1 402 . 1 1 85 85 ASN N N 15 130.08 0.1 . 1 . . . . 222 . . . 5752 1 403 . 1 1 85 85 ASN CA C 13 49.25 0.1 . 1 . . . . 222 . . . 5752 1 404 . 1 1 85 85 ASN C C 13 175.645 0.1 . 1 . . . . 222 . . . 5752 1 405 . 1 1 85 85 ASN CB C 13 33.209 0.1 . 1 . . . . 222 . . . 5752 1 406 . 1 1 86 86 THR H H 1 7.425 0.01 . 1 . . . . 223 . . . 5752 1 407 . 1 1 86 86 THR N N 15 119.401 0.1 . 1 . . . . 223 . . . 5752 1 408 . 1 1 86 86 THR CA C 13 62.131 0.1 . 1 . . . . 223 . . . 5752 1 409 . 1 1 86 86 THR C C 13 174.852 0.1 . 1 . . . . 223 . . . 5752 1 410 . 1 1 86 86 THR CB C 13 66.748 0.1 . 1 . . . . 223 . . . 5752 1 411 . 1 1 87 87 PHE H H 1 10.027 0.01 . 1 . . . . 224 . . . 5752 1 412 . 1 1 87 87 PHE N N 15 122.194 0.1 . 1 . . . . 224 . . . 5752 1 413 . 1 1 87 87 PHE CA C 13 61.979 0.1 . 1 . . . . 224 . . . 5752 1 414 . 1 1 87 87 PHE C C 13 175.997 0.1 . 1 . . . . 224 . . . 5752 1 415 . 1 1 87 87 PHE CB C 13 34.595 0.1 . 1 . . . . 224 . . . 5752 1 416 . 1 1 88 88 GLY H H 1 10.308 0.01 . 1 . . . . 225 . . . 5752 1 417 . 1 1 88 88 GLY N N 15 113.53 0.1 . 1 . . . . 225 . . . 5752 1 418 . 1 1 88 88 GLY CA C 13 43.402 0.1 . 1 . . . . 225 . . . 5752 1 419 . 1 1 88 88 GLY C C 13 172.562 0.1 . 1 . . . . 225 . . . 5752 1 420 . 1 1 89 89 ALA H H 1 7.319 0.01 . 1 . . . . 226 . . . 5752 1 421 . 1 1 89 89 ALA N N 15 125.68 0.1 . 1 . . . . 226 . . . 5752 1 422 . 1 1 89 89 ALA CA C 13 52.576 0.1 . 1 . . . . 226 . . . 5752 1 423 . 1 1 89 89 ALA C C 13 173.926 0.1 . 1 . . . . 226 . . . 5752 1 424 . 1 1 89 89 ALA CB C 13 14.984 0.1 . 1 . . . . 226 . . . 5752 1 425 . 1 1 90 90 ILE H H 1 8.113 0.01 . 1 . . . . 227 . . . 5752 1 426 . 1 1 90 90 ILE N N 15 119.179 0.1 . 1 . . . . 227 . . . 5752 1 427 . 1 1 90 90 ILE CA C 13 62.768 0.1 . 1 . . . . 227 . . . 5752 1 428 . 1 1 90 90 ILE C C 13 172.78 0.1 . 1 . . . . 227 . . . 5752 1 429 . 1 1 90 90 ILE CB C 13 35.149 0.1 . 1 . . . . 227 . . . 5752 1 430 . 1 1 91 91 GLN H H 1 8.449 0.01 . 1 . . . . 228 . . . 5752 1 431 . 1 1 91 91 GLN N N 15 119.126 0.1 . 1 . . . . 228 . . . 5752 1 432 . 1 1 91 91 GLN CA C 13 55.596 0.1 . 1 . . . . 228 . . . 5752 1 433 . 1 1 91 91 GLN C C 13 173.499 0.1 . 1 . . . . 228 . . . 5752 1 434 . 1 1 91 91 GLN CB C 13 26.21 0.1 . 1 . . . . 228 . . . 5752 1 435 . 1 1 92 92 TYR H H 1 7.884 0.01 . 1 . . . . 229 . . . 5752 1 436 . 1 1 92 92 TYR N N 15 120.126 0.1 . 1 . . . . 229 . . . 5752 1 437 . 1 1 92 92 TYR CA C 13 58.886 0.1 . 1 . . . . 229 . . . 5752 1 438 . 1 1 92 92 TYR C C 13 174.034 0.1 . 1 . . . . 229 . . . 5752 1 439 . 1 1 92 92 TYR CB C 13 36.05 0.1 . 1 . . . . 229 . . . 5752 1 440 . 1 1 93 93 ALA H H 1 8.379 0.01 . 1 . . . . 230 . . . 5752 1 441 . 1 1 93 93 ALA N N 15 120.453 0.1 . 1 . . . . 230 . . . 5752 1 442 . 1 1 93 93 ALA CA C 13 51.694 0.1 . 1 . . . . 230 . . . 5752 1 443 . 1 1 93 93 ALA C C 13 173.748 0.1 . 1 . . . . 230 . . . 5752 1 444 . 1 1 93 93 ALA CB C 13 15.4 0.1 . 1 . . . . 230 . . . 5752 1 445 . 1 1 94 94 ARG H H 1 8.8 0.01 . 1 . . . . 231 . . . 5752 1 446 . 1 1 94 94 ARG N N 15 115.82 0.1 . 1 . . . . 231 . . . 5752 1 447 . 1 1 94 94 ARG CA C 13 57.092 0.1 . 1 . . . . 231 . . . 5752 1 448 . 1 1 94 94 ARG C C 13 171.983 0.1 . 1 . . . . 231 . . . 5752 1 449 . 1 1 94 94 ARG CB C 13 26.002 0.1 . 1 . . . . 231 . . . 5752 1 450 . 1 1 95 95 LYS H H 1 8.209 0.01 . 1 . . . . 232 . . . 5752 1 451 . 1 1 95 95 LYS N N 15 118.821 0.1 . 1 . . . . 232 . . . 5752 1 452 . 1 1 95 95 LYS CA C 13 56.627 0.1 . 1 . . . . 232 . . . 5752 1 453 . 1 1 95 95 LYS C C 13 172.156 0.1 . 1 . . . . 232 . . . 5752 1 454 . 1 1 95 95 LYS CB C 13 29.813 0.1 . 1 . . . . 232 . . . 5752 1 455 . 1 1 96 96 TYR H H 1 7.947 0.01 . 1 . . . . 233 . . . 5752 1 456 . 1 1 96 96 TYR N N 15 113.522 0.1 . 1 . . . . 233 . . . 5752 1 457 . 1 1 96 96 TYR CA C 13 56.245 0.1 . 1 . . . . 233 . . . 5752 1 458 . 1 1 96 96 TYR C C 13 173.39 0.1 . 1 . . . . 233 . . . 5752 1 459 . 1 1 96 96 TYR CB C 13 37.575 0.1 . 1 . . . . 233 . . . 5752 1 460 . 1 1 97 97 ALA H H 1 8.548 0.01 . 1 . . . . 234 . . . 5752 1 461 . 1 1 97 97 ALA N N 15 121.098 0.1 . 1 . . . . 234 . . . 5752 1 462 . 1 1 97 97 ALA CA C 13 51.85 0.1 . 1 . . . . 234 . . . 5752 1 463 . 1 1 97 97 ALA C C 13 172.612 0.1 . 1 . . . . 234 . . . 5752 1 464 . 1 1 97 97 ALA CB C 13 16.786 0.1 . 1 . . . . 234 . . . 5752 1 465 . 1 1 98 98 TYR H H 1 8.035 0.01 . 1 . . . . 235 . . . 5752 1 466 . 1 1 98 98 TYR N N 15 110.826 0.1 . 1 . . . . 235 . . . 5752 1 467 . 1 1 98 98 TYR CA C 13 53.646 0.1 . 1 . . . . 235 . . . 5752 1 468 . 1 1 98 98 TYR C C 13 174.871 0.1 . 1 . . . . 235 . . . 5752 1 469 . 1 1 98 98 TYR CB C 13 34.526 0.1 . 1 . . . . 235 . . . 5752 1 470 . 1 1 99 99 SER H H 1 7.07 0.01 . 1 . . . . 236 . . . 5752 1 471 . 1 1 99 99 SER N N 15 116.444 0.1 . 1 . . . . 236 . . . 5752 1 472 . 1 1 99 99 SER CA C 13 55.24 0.1 . 1 . . . . 236 . . . 5752 1 473 . 1 1 99 99 SER C C 13 175.142 0.1 . 1 . . . . 236 . . . 5752 1 474 . 1 1 99 99 SER CB C 13 62.244 0.1 . 1 . . . . 236 . . . 5752 1 475 . 1 1 100 100 ALA H H 1 8.954 0.01 . 1 . . . . 237 . . . 5752 1 476 . 1 1 100 100 ALA N N 15 126.88 0.1 . 1 . . . . 237 . . . 5752 1 477 . 1 1 100 100 ALA CA C 13 52.537 0.1 . 1 . . . . 237 . . . 5752 1 478 . 1 1 100 100 ALA C C 13 175.624 0.1 . 1 . . . . 237 . . . 5752 1 479 . 1 1 100 100 ALA CB C 13 14.43 0.1 . 1 . . . . 237 . . . 5752 1 480 . 1 1 101 101 ALA H H 1 8.45 0.01 . 1 . . . . 238 . . . 5752 1 481 . 1 1 101 101 ALA N N 15 120.611 0.1 . 1 . . . . 238 . . . 5752 1 482 . 1 1 101 101 ALA CA C 13 51.964 0.1 . 1 . . . . 238 . . . 5752 1 483 . 1 1 101 101 ALA C C 13 175.908 0.1 . 1 . . . . 238 . . . 5752 1 484 . 1 1 101 101 ALA CB C 13 14.915 0.1 . 1 . . . . 238 . . . 5752 1 485 . 1 1 102 102 SER H H 1 7.348 0.01 . 1 . . . . 239 . . . 5752 1 486 . 1 1 102 102 SER N N 15 113.823 0.1 . 1 . . . . 239 . . . 5752 1 487 . 1 1 102 102 SER CA C 13 55.71 0.1 . 1 . . . . 239 . . . 5752 1 488 . 1 1 102 102 SER C C 13 171.924 0.1 . 1 . . . . 239 . . . 5752 1 489 . 1 1 102 102 SER CB C 13 61.274 0.1 . 1 . . . . 239 . . . 5752 1 490 . 1 1 103 103 GLY H H 1 7.422 0.01 . 1 . . . . 240 . . . 5752 1 491 . 1 1 103 103 GLY N N 15 104.212 0.1 . 1 . . . . 240 . . . 5752 1 492 . 1 1 103 103 GLY CA C 13 42.332 0.1 . 1 . . . . 240 . . . 5752 1 493 . 1 1 103 103 GLY C C 13 179.672 0.1 . 1 . . . . 240 . . . 5752 1 494 . 1 1 104 104 GLY H H 1 8.118 0.01 . 1 . . . . 241 . . . 5752 1 495 . 1 1 104 104 GLY N N 15 109.816 0.1 . 1 . . . . 241 . . . 5752 1 496 . 1 1 104 104 GLY CA C 13 42.294 0.1 . 1 . . . . 241 . . . 5752 1 497 . 1 1 104 104 GLY C C 13 177.155 0.1 . 1 . . . . 241 . . . 5752 1 498 . 1 1 105 105 ARG H H 1 9.195 0.01 . 1 . . . . 242 . . . 5752 1 499 . 1 1 105 105 ARG N N 15 126.759 0.1 . 1 . . . . 242 . . . 5752 1 500 . 1 1 105 105 ARG CA C 13 51.772 0.1 . 1 . . . . 242 . . . 5752 1 501 . 1 1 105 105 ARG C C 13 176.531 0.1 . 1 . . . . 242 . . . 5752 1 502 . 1 1 105 105 ARG CB C 13 27.804 0.1 . 1 . . . . 242 . . . 5752 1 503 . 1 1 106 106 ARG H H 1 8.649 0.01 . 1 . . . . 243 . . . 5752 1 504 . 1 1 106 106 ARG N N 15 126.114 0.1 . 1 . . . . 243 . . . 5752 1 505 . 1 1 106 106 ARG CA C 13 55.977 0.1 . 1 . . . . 243 . . . 5752 1 506 . 1 1 106 106 ARG C C 13 173.916 0.1 . 1 . . . . 243 . . . 5752 1 507 . 1 1 106 106 ARG CB C 13 27.319 0.1 . 1 . . . . 243 . . . 5752 1 508 . 1 1 107 107 SER H H 1 8.344 0.01 . 1 . . . . 244 . . . 5752 1 509 . 1 1 107 107 SER N N 15 111.783 0.1 . 1 . . . . 244 . . . 5752 1 510 . 1 1 107 107 SER CA C 13 56.091 0.1 . 1 . . . . 244 . . . 5752 1 511 . 1 1 107 107 SER C C 13 173.562 0.1 . 1 . . . . 244 . . . 5752 1 512 . 1 1 107 107 SER CB C 13 60.65 0.1 . 1 . . . . 244 . . . 5752 1 513 . 1 1 108 108 ALA H H 1 7.363 0.01 . 1 . . . . 245 . . . 5752 1 514 . 1 1 108 108 ALA N N 15 122.587 0.1 . 1 . . . . 245 . . . 5752 1 515 . 1 1 108 108 ALA CA C 13 48.906 0.1 . 1 . . . . 245 . . . 5752 1 516 . 1 1 108 108 ALA C C 13 177.398 0.1 . 1 . . . . 245 . . . 5752 1 517 . 1 1 108 108 ALA CB C 13 17.271 0.1 . 1 . . . . 245 . . . 5752 1 518 . 1 1 109 109 THR H H 1 8.513 0.01 . 1 . . . . 246 . . . 5752 1 519 . 1 1 109 109 THR N N 15 120.747 0.1 . 1 . . . . 246 . . . 5752 1 520 . 1 1 109 109 THR CA C 13 60.832 0.1 . 1 . . . . 246 . . . 5752 1 521 . 1 1 109 109 THR C C 13 172.993 0.1 . 1 . . . . 246 . . . 5752 1 522 . 1 1 109 109 THR CB C 13 66.748 0.1 . 1 . . . . 246 . . . 5752 1 523 . 1 1 110 110 LYS H H 1 8.97 0.01 . 1 . . . . 247 . . . 5752 1 524 . 1 1 110 110 LYS N N 15 128.577 0.1 . 1 . . . . 247 . . . 5752 1 525 . 1 1 110 110 LYS CA C 13 53.875 0.1 . 1 . . . . 247 . . . 5752 1 526 . 1 1 110 110 LYS C C 13 178.027 0.1 . 1 . . . . 247 . . . 5752 1 527 . 1 1 110 110 LYS CB C 13 30.714 0.1 . 1 . . . . 247 . . . 5752 1 528 . 1 1 111 111 VAL H H 1 9.116 0.01 . 1 . . . . 248 . . . 5752 1 529 . 1 1 111 111 VAL N N 15 122.702 0.1 . 1 . . . . 248 . . . 5752 1 530 . 1 1 111 111 VAL CA C 13 57.162 0.1 . 1 . . . . 248 . . . 5752 1 531 . 1 1 111 111 VAL C C 13 176.37 0.1 . 1 . . . . 248 . . . 5752 1 532 . 1 1 111 111 VAL CB C 13 32.516 0.1 . 1 . . . . 248 . . . 5752 1 533 . 1 1 112 112 MET H H 1 10.032 0.01 . 1 . . . . 249 . . . 5752 1 534 . 1 1 112 112 MET N N 15 102.876 0.1 . 1 . . . . 249 . . . 5752 1 535 . 1 1 112 112 MET CA C 13 51.123 0.1 . 1 . . . . 249 . . . 5752 1 536 . 1 1 112 112 MET C C 13 175.481 0.1 . 1 . . . . 249 . . . 5752 1 537 . 1 1 112 112 MET CB C 13 35.565 0.1 . 1 . . . . 249 . . . 5752 1 538 . 1 1 113 113 VAL H H 1 8.865 0.01 . 1 . . . . 250 . . . 5752 1 539 . 1 1 113 113 VAL N N 15 127.353 0.1 . 1 . . . . 250 . . . 5752 1 540 . 1 1 113 113 VAL CA C 13 58.041 0.1 . 1 . . . . 250 . . . 5752 1 541 . 1 1 113 113 VAL C C 13 176.919 0.1 . 1 . . . . 250 . . . 5752 1 542 . 1 1 113 113 VAL CB C 13 30.853 0.1 . 1 . . . . 250 . . . 5752 1 543 . 1 1 114 114 VAL H H 1 9.042 0.01 . 1 . . . . 251 . . . 5752 1 544 . 1 1 114 114 VAL N N 15 129.164 0.1 . 1 . . . . 251 . . . 5752 1 545 . 1 1 114 114 VAL CA C 13 58.424 0.1 . 1 . . . . 251 . . . 5752 1 546 . 1 1 114 114 VAL C C 13 177.705 0.1 . 1 . . . . 251 . . . 5752 1 547 . 1 1 114 114 VAL CB C 13 30.368 0.1 . 1 . . . . 251 . . . 5752 1 548 . 1 1 115 115 VAL H H 1 8.57 0.01 . 1 . . . . 252 . . . 5752 1 549 . 1 1 115 115 VAL N N 15 127.739 0.1 . 1 . . . . 252 . . . 5752 1 550 . 1 1 115 115 VAL CA C 13 57.807 0.1 . 1 . . . . 252 . . . 5752 1 551 . 1 1 115 115 VAL C C 13 177.363 0.1 . 1 . . . . 252 . . . 5752 1 552 . 1 1 115 115 VAL CB C 13 30.506 0.1 . 1 . . . . 252 . . . 5752 1 553 . 1 1 116 116 THR H H 1 8.194 0.01 . 1 . . . . 253 . . . 5752 1 554 . 1 1 116 116 THR N N 15 119.315 0.1 . 1 . . . . 253 . . . 5752 1 555 . 1 1 116 116 THR CA C 13 57.854 0.1 . 1 . . . . 253 . . . 5752 1 556 . 1 1 116 116 THR C C 13 176.889 0.1 . 1 . . . . 253 . . . 5752 1 557 . 1 1 116 116 THR CB C 13 65.847 0.1 . 1 . . . . 253 . . . 5752 1 558 . 1 1 117 117 ASP H H 1 8.119 0.01 . 1 . . . . 254 . . . 5752 1 559 . 1 1 117 117 ASP N N 15 127.954 0.1 . 1 . . . . 254 . . . 5752 1 560 . 1 1 117 117 ASP CA C 13 48.256 0.1 . 1 . . . . 254 . . . 5752 1 561 . 1 1 117 117 ASP C C 13 180.115 0.1 . 1 . . . . 254 . . . 5752 1 562 . 1 1 117 117 ASP CB C 13 41.247 0.1 . 1 . . . . 254 . . . 5752 1 563 . 1 1 118 118 GLY H H 1 7.963 0.01 . 1 . . . . 255 . . . 5752 1 564 . 1 1 118 118 GLY N N 15 111.811 0.1 . 1 . . . . 255 . . . 5752 1 565 . 1 1 118 118 GLY CA C 13 42.599 0.1 . 1 . . . . 255 . . . 5752 1 566 . 1 1 118 118 GLY C C 13 173.265 0.1 . 1 . . . . 255 . . . 5752 1 567 . 1 1 119 119 GLU H H 1 8.717 0.01 . 1 . . . . 256 . . . 5752 1 568 . 1 1 119 119 GLU N N 15 120.575 0.1 . 1 . . . . 256 . . . 5752 1 569 . 1 1 119 119 GLU CA C 13 53.875 0.1 . 1 . . . . 256 . . . 5752 1 570 . 1 1 119 119 GLU C C 13 180.772 0.1 . 1 . . . . 256 . . . 5752 1 571 . 1 1 119 119 GLU CB C 13 27.042 0.1 . 1 . . . . 256 . . . 5752 1 572 . 1 1 120 120 SER H H 1 10.576 0.01 . 1 . . . . 257 . . . 5752 1 573 . 1 1 120 120 SER N N 15 122.201 0.1 . 1 . . . . 257 . . . 5752 1 574 . 1 1 120 120 SER CA C 13 56.74 0.1 . 1 . . . . 257 . . . 5752 1 575 . 1 1 120 120 SER C C 13 173.834 0.1 . 1 . . . . 257 . . . 5752 1 576 . 1 1 120 120 SER CB C 13 62.105 0.1 . 1 . . . . 257 . . . 5752 1 577 . 1 1 121 121 HIS H H 1 8.706 0.01 . 1 . . . . 258 . . . 5752 1 578 . 1 1 121 121 HIS N N 15 119.626 0.1 . 1 . . . . 258 . . . 5752 1 579 . 1 1 121 121 HIS CA C 13 56.389 0.1 . 1 . . . . 258 . . . 5752 1 580 . 1 1 121 121 HIS C C 13 173.775 0.1 . 1 . . . . 258 . . . 5752 1 581 . 1 1 121 121 HIS CB C 13 27.804 0.1 . 1 . . . . 258 . . . 5752 1 582 . 1 1 122 122 ASP H H 1 8.357 0.01 . 1 . . . . 259 . . . 5752 1 583 . 1 1 122 122 ASP N N 15 120.376 0.1 . 1 . . . . 259 . . . 5752 1 584 . 1 1 122 122 ASP CA C 13 49.429 0.1 . 1 . . . . 259 . . . 5752 1 585 . 1 1 122 122 ASP C C 13 175.508 0.1 . 1 . . . . 259 . . . 5752 1 586 . 1 1 122 122 ASP CB C 13 36.466 0.1 . 1 . . . . 259 . . . 5752 1 587 . 1 1 123 123 GLY H H 1 7.527 0.01 . 1 . . . . 260 . . . 5752 1 588 . 1 1 123 123 GLY N N 15 106.314 0.1 . 1 . . . . 260 . . . 5752 1 589 . 1 1 123 123 GLY CA C 13 45.144 0.1 . 1 . . . . 260 . . . 5752 1 590 . 1 1 123 123 GLY C C 13 174.403 0.1 . 1 . . . . 260 . . . 5752 1 591 . 1 1 124 124 SER H H 1 8.245 0.01 . 1 . . . . 261 . . . 5752 1 592 . 1 1 124 124 SER N N 15 118.327 0.1 . 1 . . . . 261 . . . 5752 1 593 . 1 1 124 124 SER CA C 13 57.725 0.1 . 1 . . . . 261 . . . 5752 1 594 . 1 1 124 124 SER C C 13 174.805 0.1 . 1 . . . . 261 . . . 5752 1 595 . 1 1 124 124 SER CB C 13 59.472 0.1 . 1 . . . . 261 . . . 5752 1 596 . 1 1 125 125 MET H H 1 7.892 0.01 . 1 . . . . 262 . . . 5752 1 597 . 1 1 125 125 MET N N 15 119.626 0.1 . 1 . . . . 262 . . . 5752 1 598 . 1 1 125 125 MET CA C 13 53.368 0.1 . 1 . . . . 262 . . . 5752 1 599 . 1 1 125 125 MET C C 13 175.136 0.1 . 1 . . . . 262 . . . 5752 1 600 . 1 1 125 125 MET CB C 13 30.506 0.1 . 1 . . . . 262 . . . 5752 1 601 . 1 1 126 126 LEU H H 1 6.581 0.01 . 1 . . . . 263 . . . 5752 1 602 . 1 1 126 126 LEU N N 15 119.694 0.1 . 1 . . . . 263 . . . 5752 1 603 . 1 1 126 126 LEU CA C 13 57.185 0.1 . 1 . . . . 263 . . . 5752 1 604 . 1 1 126 126 LEU C C 13 177.041 0.1 . 1 . . . . 263 . . . 5752 1 605 . 1 1 126 126 LEU CB C 13 38.961 0.1 . 1 . . . . 263 . . . 5752 1 606 . 1 1 127 127 LYS H H 1 8.043 0.01 . 1 . . . . 264 . . . 5752 1 607 . 1 1 127 127 LYS N N 15 117.432 0.1 . 1 . . . . 264 . . . 5752 1 608 . 1 1 127 127 LYS CA C 13 56.943 0.1 . 1 . . . . 264 . . . 5752 1 609 . 1 1 127 127 LYS C C 13 174.022 0.1 . 1 . . . . 264 . . . 5752 1 610 . 1 1 127 127 LYS CB C 13 28.566 0.1 . 1 . . . . 264 . . . 5752 1 611 . 1 1 128 128 ALA H H 1 7.898 0.01 . 1 . . . . 265 . . . 5752 1 612 . 1 1 128 128 ALA N N 15 119.716 0.1 . 1 . . . . 265 . . . 5752 1 613 . 1 1 128 128 ALA CA C 13 51.962 0.1 . 1 . . . . 265 . . . 5752 1 614 . 1 1 128 128 ALA C C 13 172.727 0.1 . 1 . . . . 265 . . . 5752 1 615 . 1 1 128 128 ALA CB C 13 15.053 0.1 . 1 . . . . 265 . . . 5752 1 616 . 1 1 129 129 VAL H H 1 8.178 0.01 . 1 . . . . 266 . . . 5752 1 617 . 1 1 129 129 VAL N N 15 117.625 0.1 . 1 . . . . 266 . . . 5752 1 618 . 1 1 129 129 VAL CA C 13 63.258 0.1 . 1 . . . . 266 . . . 5752 1 619 . 1 1 129 129 VAL C C 13 170.02 0.1 . 1 . . . . 266 . . . 5752 1 620 . 1 1 129 129 VAL CB C 13 28.982 0.1 . 1 . . . . 266 . . . 5752 1 621 . 1 1 130 130 ILE H H 1 8.821 0.01 . 1 . . . . 267 . . . 5752 1 622 . 1 1 130 130 ILE N N 15 122.308 0.1 . 1 . . . . 267 . . . 5752 1 623 . 1 1 130 130 ILE CA C 13 59.743 0.1 . 1 . . . . 267 . . . 5752 1 624 . 1 1 130 130 ILE C C 13 172.126 0.1 . 1 . . . . 267 . . . 5752 1 625 . 1 1 130 130 ILE CB C 13 30.853 0.1 . 1 . . . . 267 . . . 5752 1 626 . 1 1 131 131 ASP H H 1 8.354 0.01 . 1 . . . . 268 . . . 5752 1 627 . 1 1 131 131 ASP N N 15 120.661 0.1 . 1 . . . . 268 . . . 5752 1 628 . 1 1 131 131 ASP CA C 13 55.049 0.1 . 1 . . . . 268 . . . 5752 1 629 . 1 1 131 131 ASP C C 13 172.908 0.1 . 1 . . . . 268 . . . 5752 1 630 . 1 1 131 131 ASP CB C 13 36.674 0.1 . 1 . . . . 268 . . . 5752 1 631 . 1 1 132 132 GLN H H 1 7.586 0.01 . 1 . . . . 269 . . . 5752 1 632 . 1 1 132 132 GLN N N 15 118.635 0.1 . 1 . . . . 269 . . . 5752 1 633 . 1 1 132 132 GLN CA C 13 56.359 0.1 . 1 . . . . 269 . . . 5752 1 634 . 1 1 132 132 GLN C C 13 171.14 0.1 . 1 . . . . 269 . . . 5752 1 635 . 1 1 132 132 GLN CB C 13 25.171 0.1 . 1 . . . . 269 . . . 5752 1 636 . 1 1 133 133 CYS H H 1 8.178 0.01 . 1 . . . . 270 . . . 5752 1 637 . 1 1 133 133 CYS N N 15 117.683 0.1 . 1 . . . . 270 . . . 5752 1 638 . 1 1 133 133 CYS CA C 13 62.049 0.1 . 1 . . . . 270 . . . 5752 1 639 . 1 1 133 133 CYS C C 13 172.123 0.1 . 1 . . . . 270 . . . 5752 1 640 . 1 1 133 133 CYS CB C 13 25.171 0.1 . 1 . . . . 270 . . . 5752 1 641 . 1 1 134 134 ASN H H 1 8.525 0.01 . 1 . . . . 271 . . . 5752 1 642 . 1 1 134 134 ASN N N 15 119.126 0.1 . 1 . . . . 271 . . . 5752 1 643 . 1 1 134 134 ASN CA C 13 52.486 0.1 . 1 . . . . 271 . . . 5752 1 644 . 1 1 134 134 ASN C C 13 174.507 0.1 . 1 . . . . 271 . . . 5752 1 645 . 1 1 134 134 ASN CB C 13 33.833 0.1 . 1 . . . . 271 . . . 5752 1 646 . 1 1 135 135 HIS H H 1 8.295 0.01 . 1 . . . . 272 . . . 5752 1 647 . 1 1 135 135 HIS N N 15 122.702 0.1 . 1 . . . . 272 . . . 5752 1 648 . 1 1 135 135 HIS CA C 13 56.742 0.1 . 1 . . . . 272 . . . 5752 1 649 . 1 1 135 135 HIS C C 13 171.432 0.1 . 1 . . . . 272 . . . 5752 1 650 . 1 1 135 135 HIS CB C 13 25.309 0.1 . 1 . . . . 272 . . . 5752 1 651 . 1 1 136 136 ASP H H 1 7.473 0.01 . 1 . . . . 273 . . . 5752 1 652 . 1 1 136 136 ASP N N 15 117.525 0.1 . 1 . . . . 273 . . . 5752 1 653 . 1 1 136 136 ASP CA C 13 51.467 0.1 . 1 . . . . 273 . . . 5752 1 654 . 1 1 136 136 ASP C C 13 174.923 0.1 . 1 . . . . 273 . . . 5752 1 655 . 1 1 136 136 ASP CB C 13 37.99 0.1 . 1 . . . . 273 . . . 5752 1 656 . 1 1 137 137 ASN H H 1 7.77 0.01 . 1 . . . . 274 . . . 5752 1 657 . 1 1 137 137 ASN N N 15 115.183 0.1 . 1 . . . . 274 . . . 5752 1 658 . 1 1 137 137 ASN CA C 13 51.396 0.1 . 1 . . . . 274 . . . 5752 1 659 . 1 1 137 137 ASN C C 13 176.602 0.1 . 1 . . . . 274 . . . 5752 1 660 . 1 1 137 137 ASN CB C 13 33.763 0.1 . 1 . . . . 274 . . . 5752 1 661 . 1 1 138 138 ILE H H 1 7.504 0.01 . 1 . . . . 275 . . . 5752 1 662 . 1 1 138 138 ILE N N 15 117.181 0.1 . 1 . . . . 275 . . . 5752 1 663 . 1 1 138 138 ILE CA C 13 58.156 0.1 . 1 . . . . 275 . . . 5752 1 664 . 1 1 138 138 ILE C C 13 177.57 0.1 . 1 . . . . 275 . . . 5752 1 665 . 1 1 138 138 ILE CB C 13 36.258 0.1 . 1 . . . . 275 . . . 5752 1 666 . 1 1 139 139 LEU H H 1 8.56 0.01 . 1 . . . . 276 . . . 5752 1 667 . 1 1 139 139 LEU N N 15 101.74 0.1 . 1 . . . . 276 . . . 5752 1 668 . 1 1 139 139 LEU CA C 13 51.772 0.1 . 1 . . . . 276 . . . 5752 1 669 . 1 1 139 139 LEU C C 13 174.788 0.1 . 1 . . . . 276 . . . 5752 1 670 . 1 1 139 139 LEU CB C 13 39.307 0.1 . 1 . . . . 276 . . . 5752 1 671 . 1 1 140 140 ARG H H 1 8.773 0.01 . 1 . . . . 277 . . . 5752 1 672 . 1 1 140 140 ARG N N 15 121.678 0.1 . 1 . . . . 277 . . . 5752 1 673 . 1 1 140 140 ARG CA C 13 51.735 0.1 . 1 . . . . 277 . . . 5752 1 674 . 1 1 140 140 ARG C C 13 175.07 0.1 . 1 . . . . 277 . . . 5752 1 675 . 1 1 140 140 ARG CB C 13 27.596 0.1 . 1 . . . . 277 . . . 5752 1 676 . 1 1 141 141 PHE H H 1 9.267 0.01 . 1 . . . . 278 . . . 5752 1 677 . 1 1 141 141 PHE N N 15 121.678 0.1 . 1 . . . . 278 . . . 5752 1 678 . 1 1 141 141 PHE CA C 13 53.801 0.1 . 1 . . . . 278 . . . 5752 1 679 . 1 1 141 141 PHE C C 13 175.903 0.1 . 1 . . . . 278 . . . 5752 1 680 . 1 1 141 141 PHE CB C 13 38.614 0.1 . 1 . . . . 278 . . . 5752 1 681 . 1 1 142 142 GLY H H 1 9.079 0.01 . 1 . . . . 279 . . . 5752 1 682 . 1 1 142 142 GLY N N 15 108.778 0.1 . 1 . . . . 279 . . . 5752 1 683 . 1 1 142 142 GLY CA C 13 42.064 0.1 . 1 . . . . 279 . . . 5752 1 684 . 1 1 142 142 GLY C C 13 175.385 0.1 . 1 . . . . 279 . . . 5752 1 685 . 1 1 143 143 ILE H H 1 9.188 0.01 . 1 . . . . 280 . . . 5752 1 686 . 1 1 143 143 ILE N N 15 124.456 0.1 . 1 . . . . 280 . . . 5752 1 687 . 1 1 143 143 ILE CA C 13 57.086 0.1 . 1 . . . . 280 . . . 5752 1 688 . 1 1 143 143 ILE C C 13 180.701 0.1 . 1 . . . . 280 . . . 5752 1 689 . 1 1 143 143 ILE CB C 13 35.426 0.1 . 1 . . . . 280 . . . 5752 1 690 . 1 1 144 144 ALA H H 1 8.078 0.01 . 1 . . . . 281 . . . 5752 1 691 . 1 1 144 144 ALA N N 15 127.947 0.1 . 1 . . . . 281 . . . 5752 1 692 . 1 1 144 144 ALA CA C 13 47.033 0.1 . 1 . . . . 281 . . . 5752 1 693 . 1 1 144 144 ALA C C 13 177.469 0.1 . 1 . . . . 281 . . . 5752 1 694 . 1 1 144 144 ALA CB C 13 16.301 0.1 . 1 . . . . 281 . . . 5752 1 695 . 1 1 145 145 VAL H H 1 8.887 0.01 . 1 . . . . 282 . . . 5752 1 696 . 1 1 145 145 VAL N N 15 123.962 0.1 . 1 . . . . 282 . . . 5752 1 697 . 1 1 145 145 VAL CA C 13 58.308 0.1 . 1 . . . . 282 . . . 5752 1 698 . 1 1 145 145 VAL C C 13 176.32 0.1 . 1 . . . . 282 . . . 5752 1 699 . 1 1 145 145 VAL CB C 13 28.358 0.1 . 1 . . . . 282 . . . 5752 1 700 . 1 1 146 146 LEU H H 1 8.36 0.01 . 1 . . . . 283 . . . 5752 1 701 . 1 1 146 146 LEU N N 15 124.914 0.1 . 1 . . . . 283 . . . 5752 1 702 . 1 1 146 146 LEU CA C 13 52.499 0.1 . 1 . . . . 283 . . . 5752 1 703 . 1 1 146 146 LEU C C 13 174.957 0.1 . 1 . . . . 283 . . . 5752 1 704 . 1 1 146 146 LEU CB C 13 36.674 0.1 . 1 . . . . 283 . . . 5752 1 705 . 1 1 147 147 GLY H H 1 6.445 0.01 . 1 . . . . 284 . . . 5752 1 706 . 1 1 147 147 GLY N N 15 105.054 0.1 . 1 . . . . 284 . . . 5752 1 707 . 1 1 147 147 GLY CA C 13 46.345 0.1 . 1 . . . . 284 . . . 5752 1 708 . 1 1 147 147 GLY C C 13 174.935 0.1 . 1 . . . . 284 . . . 5752 1 709 . 1 1 148 148 TYR H H 1 10.418 0.01 . 1 . . . . 285 . . . 5752 1 710 . 1 1 148 148 TYR N N 15 129.064 0.1 . 1 . . . . 285 . . . 5752 1 711 . 1 1 148 148 TYR CA C 13 59.494 0.1 . 1 . . . . 285 . . . 5752 1 712 . 1 1 148 148 TYR C C 13 177.244 0.1 . 1 . . . . 285 . . . 5752 1 713 . 1 1 148 148 TYR CB C 13 35.288 0.1 . 1 . . . . 285 . . . 5752 1 714 . 1 1 149 149 LEU H H 1 8.64 0.01 . 1 . . . . 286 . . . 5752 1 715 . 1 1 149 149 LEU N N 15 120.539 0.1 . 1 . . . . 286 . . . 5752 1 716 . 1 1 149 149 LEU CA C 13 56.13 0.1 . 1 . . . . 286 . . . 5752 1 717 . 1 1 149 149 LEU C C 13 172.097 0.1 . 1 . . . . 286 . . . 5752 1 718 . 1 1 149 149 LEU CB C 13 37.228 0.1 . 1 . . . . 286 . . . 5752 1 719 . 1 1 150 150 ASN H H 1 8.53 0.01 . 1 . . . . 287 . . . 5752 1 720 . 1 1 150 150 ASN N N 15 116.659 0.1 . 1 . . . . 287 . . . 5752 1 721 . 1 1 150 150 ASN CA C 13 52.843 0.1 . 1 . . . . 287 . . . 5752 1 722 . 1 1 150 150 ASN C C 13 171.747 0.1 . 1 . . . . 287 . . . 5752 1 723 . 1 1 150 150 ASN CB C 13 34.733 0.1 . 1 . . . . 287 . . . 5752 1 724 . 1 1 151 151 ARG H H 1 9.118 0.01 . 1 . . . . 288 . . . 5752 1 725 . 1 1 151 151 ARG N N 15 121.821 0.1 . 1 . . . . 288 . . . 5752 1 726 . 1 1 151 151 ARG CA C 13 57.162 0.1 . 1 . . . . 288 . . . 5752 1 727 . 1 1 151 151 ARG C C 13 170.79 0.1 . 1 . . . . 288 . . . 5752 1 728 . 1 1 151 151 ARG CB C 13 27.942 0.1 . 1 . . . . 288 . . . 5752 1 729 . 1 1 152 152 ASN H H 1 7.083 0.01 . 1 . . . . 289 . . . 5752 1 730 . 1 1 152 152 ASN N N 15 114.818 0.1 . 1 . . . . 289 . . . 5752 1 731 . 1 1 152 152 ASN CA C 13 50.855 0.1 . 1 . . . . 289 . . . 5752 1 732 . 1 1 152 152 ASN C C 13 173.516 0.1 . 1 . . . . 289 . . . 5752 1 733 . 1 1 152 152 ASN CB C 13 37.297 0.1 . 1 . . . . 289 . . . 5752 1 734 . 1 1 153 153 ALA H H 1 7.689 0.01 . 1 . . . . 290 . . . 5752 1 735 . 1 1 153 153 ALA N N 15 121.814 0.1 . 1 . . . . 290 . . . 5752 1 736 . 1 1 153 153 ALA CA C 13 50.243 0.1 . 1 . . . . 290 . . . 5752 1 737 . 1 1 153 153 ALA C C 13 179.248 0.1 . 1 . . . . 290 . . . 5752 1 738 . 1 1 153 153 ALA CB C 13 13.044 0.1 . 1 . . . . 290 . . . 5752 1 739 . 1 1 154 154 LEU H H 1 8.344 0.01 . 1 . . . . 291 . . . 5752 1 740 . 1 1 154 154 LEU N N 15 118.921 0.1 . 1 . . . . 291 . . . 5752 1 741 . 1 1 154 154 LEU CA C 13 50.354 0.1 . 1 . . . . 291 . . . 5752 1 742 . 1 1 154 154 LEU C C 13 175.261 0.1 . 1 . . . . 291 . . . 5752 1 743 . 1 1 154 154 LEU CB C 13 40.624 0.1 . 1 . . . . 291 . . . 5752 1 744 . 1 1 155 155 ASP H H 1 8.143 0.01 . 1 . . . . 292 . . . 5752 1 745 . 1 1 155 155 ASP N N 15 120.031 0.1 . 1 . . . . 292 . . . 5752 1 746 . 1 1 155 155 ASP CA C 13 52.614 0.1 . 1 . . . . 292 . . . 5752 1 747 . 1 1 155 155 ASP C C 13 174.428 0.1 . 1 . . . . 292 . . . 5752 1 748 . 1 1 155 155 ASP CB C 13 39.238 0.1 . 1 . . . . 292 . . . 5752 1 749 . 1 1 156 156 THR H H 1 8.147 0.01 . 1 . . . . 293 . . . 5752 1 750 . 1 1 156 156 THR N N 15 114.625 0.1 . 1 . . . . 293 . . . 5752 1 751 . 1 1 156 156 THR CA C 13 59.112 0.1 . 1 . . . . 293 . . . 5752 1 752 . 1 1 156 156 THR C C 13 172.862 0.1 . 1 . . . . 293 . . . 5752 1 753 . 1 1 156 156 THR CB C 13 67.441 0.1 . 1 . . . . 293 . . . 5752 1 754 . 1 1 157 157 LYS H H 1 8.039 0.01 . 1 . . . . 294 . . . 5752 1 755 . 1 1 157 157 LYS N N 15 121.32 0.1 . 1 . . . . 294 . . . 5752 1 756 . 1 1 157 157 LYS CA C 13 57.63 0.1 . 1 . . . . 294 . . . 5752 1 757 . 1 1 157 157 LYS C C 13 175.769 0.1 . 1 . . . . 294 . . . 5752 1 758 . 1 1 157 157 LYS CB C 13 28.705 0.1 . 1 . . . . 294 . . . 5752 1 759 . 1 1 158 158 ASN H H 1 8.5 0.01 . 1 . . . . 295 . . . 5752 1 760 . 1 1 158 158 ASN N N 15 119.007 0.1 . 1 . . . . 295 . . . 5752 1 761 . 1 1 158 158 ASN CA C 13 52.805 0.1 . 1 . . . . 295 . . . 5752 1 762 . 1 1 158 158 ASN C C 13 171.961 0.1 . 1 . . . . 295 . . . 5752 1 763 . 1 1 158 158 ASN CB C 13 33.763 0.1 . 1 . . . . 295 . . . 5752 1 764 . 1 1 159 159 LEU H H 1 8.53 0.01 . 1 . . . . 296 . . . 5752 1 765 . 1 1 159 159 LEU N N 15 124.37 0.1 . 1 . . . . 296 . . . 5752 1 766 . 1 1 159 159 LEU CA C 13 55.327 0.1 . 1 . . . . 296 . . . 5752 1 767 . 1 1 159 159 LEU C C 13 172.727 0.1 . 1 . . . . 296 . . . 5752 1 768 . 1 1 159 159 LEU CB C 13 37.505 0.1 . 1 . . . . 296 . . . 5752 1 769 . 1 1 160 160 ILE H H 1 7.648 0.01 . 1 . . . . 297 . . . 5752 1 770 . 1 1 160 160 ILE N N 15 117.518 0.1 . 1 . . . . 297 . . . 5752 1 771 . 1 1 160 160 ILE CA C 13 62.628 0.1 . 1 . . . . 297 . . . 5752 1 772 . 1 1 160 160 ILE C C 13 173.775 0.1 . 1 . . . . 297 . . . 5752 1 773 . 1 1 160 160 ILE CB C 13 34.248 0.1 . 1 . . . . 297 . . . 5752 1 774 . 1 1 161 161 LYS H H 1 7.735 0.01 . 1 . . . . 298 . . . 5752 1 775 . 1 1 161 161 LYS N N 15 117.053 0.1 . 1 . . . . 298 . . . 5752 1 776 . 1 1 161 161 LYS CA C 13 56.895 0.1 . 1 . . . . 298 . . . 5752 1 777 . 1 1 161 161 LYS C C 13 174.293 0.1 . 1 . . . . 298 . . . 5752 1 778 . 1 1 161 161 LYS CB C 13 29.398 0.1 . 1 . . . . 298 . . . 5752 1 779 . 1 1 162 162 GLU H H 1 7.756 0.01 . 1 . . . . 299 . . . 5752 1 780 . 1 1 162 162 GLU N N 15 120.539 0.1 . 1 . . . . 299 . . . 5752 1 781 . 1 1 162 162 GLU CA C 13 57.315 0.1 . 1 . . . . 299 . . . 5752 1 782 . 1 1 162 162 GLU C C 13 172.322 0.1 . 1 . . . . 299 . . . 5752 1 783 . 1 1 162 162 GLU CB C 13 27.735 0.1 . 1 . . . . 299 . . . 5752 1 784 . 1 1 163 163 ILE H H 1 8.332 0.01 . 1 . . . . 300 . . . 5752 1 785 . 1 1 163 163 ILE N N 15 116.716 0.1 . 1 . . . . 300 . . . 5752 1 786 . 1 1 163 163 ILE CA C 13 58.615 0.1 . 1 . . . . 300 . . . 5752 1 787 . 1 1 163 163 ILE C C 13 174.079 0.1 . 1 . . . . 300 . . . 5752 1 788 . 1 1 163 163 ILE CB C 13 31.269 0.1 . 1 . . . . 300 . . . 5752 1 789 . 1 1 164 164 LYS H H 1 8.25 0.01 . 1 . . . . 301 . . . 5752 1 790 . 1 1 164 164 LYS N N 15 122.208 0.1 . 1 . . . . 301 . . . 5752 1 791 . 1 1 164 164 LYS CA C 13 58.08 0.1 . 1 . . . . 301 . . . 5752 1 792 . 1 1 164 164 LYS C C 13 171.533 0.1 . 1 . . . . 301 . . . 5752 1 793 . 1 1 164 164 LYS CB C 13 29.259 0.1 . 1 . . . . 301 . . . 5752 1 794 . 1 1 165 165 ALA H H 1 7.157 0.01 . 1 . . . . 302 . . . 5752 1 795 . 1 1 165 165 ALA N N 15 117.754 0.1 . 1 . . . . 302 . . . 5752 1 796 . 1 1 165 165 ALA CA C 13 51.161 0.1 . 1 . . . . 302 . . . 5752 1 797 . 1 1 165 165 ALA C C 13 173.549 0.1 . 1 . . . . 302 . . . 5752 1 798 . 1 1 165 165 ALA CB C 13 15.469 0.1 . 1 . . . . 302 . . . 5752 1 799 . 1 1 166 166 ILE H H 1 7.373 0.01 . 1 . . . . 303 . . . 5752 1 800 . 1 1 166 166 ILE N N 15 118.377 0.1 . 1 . . . . 303 . . . 5752 1 801 . 1 1 166 166 ILE CA C 13 60.144 0.1 . 1 . . . . 303 . . . 5752 1 802 . 1 1 166 166 ILE C C 13 171.432 0.1 . 1 . . . . 303 . . . 5752 1 803 . 1 1 166 166 ILE CB C 13 36.189 0.1 . 1 . . . . 303 . . . 5752 1 804 . 1 1 167 167 ALA H H 1 7.309 0.01 . 1 . . . . 304 . . . 5752 1 805 . 1 1 167 167 ALA N N 15 122.795 0.1 . 1 . . . . 304 . . . 5752 1 806 . 1 1 167 167 ALA CA C 13 49.518 0.1 . 1 . . . . 304 . . . 5752 1 807 . 1 1 167 167 ALA C C 13 176.038 0.1 . 1 . . . . 304 . . . 5752 1 808 . 1 1 167 167 ALA CB C 13 16.093 0.1 . 1 . . . . 304 . . . 5752 1 809 . 1 1 168 168 SER H H 1 8.588 0.01 . 1 . . . . 305 . . . 5752 1 810 . 1 1 168 168 SER N N 15 121.8 0.1 . 1 . . . . 305 . . . 5752 1 811 . 1 1 168 168 SER CA C 13 58.5 0.1 . 1 . . . . 305 . . . 5752 1 812 . 1 1 168 168 SER C C 13 173.426 0.1 . 1 . . . . 305 . . . 5752 1 813 . 1 1 168 168 SER CB C 13 60.165 0.1 . 1 . . . . 305 . . . 5752 1 814 . 1 1 169 169 ILE H H 1 7.167 0.01 . 1 . . . . 306 . . . 5752 1 815 . 1 1 169 169 ILE N N 15 115.942 0.1 . 1 . . . . 306 . . . 5752 1 816 . 1 1 169 169 ILE CA C 13 54.487 0.1 . 1 . . . . 306 . . . 5752 1 817 . 1 1 169 169 ILE C C 13 174.897 0.1 . 1 . . . . 306 . . . 5752 1 818 . 1 1 169 169 ILE CB C 13 35.981 0.1 . 1 . . . . 306 . . . 5752 1 819 . 1 1 170 170 PRO CA C 13 59.456 0.1 . 1 . . . . 307 . . . 5752 1 820 . 1 1 170 170 PRO CB C 13 30.992 0.1 . 1 . . . . 307 . . . 5752 1 821 . 1 1 170 170 PRO C C 13 175.306 0.1 . 1 . . . . 307 . . . 5752 1 822 . 1 1 171 171 THR H H 1 8.679 0.01 . 1 . . . . 308 . . . 5752 1 823 . 1 1 171 171 THR N N 15 122.444 0.1 . 1 . . . . 308 . . . 5752 1 824 . 1 1 171 171 THR CA C 13 63.546 0.1 . 1 . . . . 308 . . . 5752 1 825 . 1 1 171 171 THR C C 13 174.105 0.1 . 1 . . . . 308 . . . 5752 1 826 . 1 1 171 171 THR CB C 13 66.61 0.1 . 1 . . . . 308 . . . 5752 1 827 . 1 1 172 172 GLU H H 1 9.091 0.01 . 1 . . . . 309 . . . 5752 1 828 . 1 1 172 172 GLU N N 15 116.58 0.1 . 1 . . . . 309 . . . 5752 1 829 . 1 1 172 172 GLU CA C 13 56.512 0.1 . 1 . . . . 309 . . . 5752 1 830 . 1 1 172 172 GLU C C 13 175.692 0.1 . 1 . . . . 309 . . . 5752 1 831 . 1 1 172 172 GLU CB C 13 25.309 0.1 . 1 . . . . 309 . . . 5752 1 832 . 1 1 173 173 ARG H H 1 7.537 0.01 . 1 . . . . 310 . . . 5752 1 833 . 1 1 173 173 ARG N N 15 117.454 0.1 . 1 . . . . 310 . . . 5752 1 834 . 1 1 173 173 ARG CA C 13 53.951 0.1 . 1 . . . . 310 . . . 5752 1 835 . 1 1 173 173 ARG C C 13 173.719 0.1 . 1 . . . . 310 . . . 5752 1 836 . 1 1 173 173 ARG CB C 13 27.873 0.1 . 1 . . . . 310 . . . 5752 1 837 . 1 1 174 174 TYR H H 1 6.721 0.01 . 1 . . . . 311 . . . 5752 1 838 . 1 1 174 174 TYR N N 15 114.202 0.1 . 1 . . . . 311 . . . 5752 1 839 . 1 1 174 174 TYR CA C 13 56.383 0.1 . 1 . . . . 311 . . . 5752 1 840 . 1 1 174 174 TYR C C 13 175.571 0.1 . 1 . . . . 311 . . . 5752 1 841 . 1 1 174 174 TYR CB C 13 37.297 0.1 . 1 . . . . 311 . . . 5752 1 842 . 1 1 175 175 PHE H H 1 7.797 0.01 . 1 . . . . 312 . . . 5752 1 843 . 1 1 175 175 PHE N N 15 119.701 0.1 . 1 . . . . 312 . . . 5752 1 844 . 1 1 175 175 PHE CA C 13 52.995 0.1 . 1 . . . . 312 . . . 5752 1 845 . 1 1 175 175 PHE C C 13 177.379 0.1 . 1 . . . . 312 . . . 5752 1 846 . 1 1 175 175 PHE CB C 13 38.961 0.1 . 1 . . . . 312 . . . 5752 1 847 . 1 1 176 176 PHE H H 1 8.227 0.01 . 1 . . . . 313 . . . 5752 1 848 . 1 1 176 176 PHE N N 15 124.377 0.1 . 1 . . . . 313 . . . 5752 1 849 . 1 1 176 176 PHE CA C 13 52.833 0.1 . 1 . . . . 313 . . . 5752 1 850 . 1 1 176 176 PHE C C 13 177.412 0.1 . 1 . . . . 313 . . . 5752 1 851 . 1 1 176 176 PHE CB C 13 39.03 0.1 . 1 . . . . 313 . . . 5752 1 852 . 1 1 177 177 ASN H H 1 8.204 0.01 . 1 . . . . 314 . . . 5752 1 853 . 1 1 177 177 ASN N N 15 117.117 0.1 . 1 . . . . 314 . . . 5752 1 854 . 1 1 177 177 ASN CA C 13 48.676 0.1 . 1 . . . . 314 . . . 5752 1 855 . 1 1 177 177 ASN C C 13 179.132 0.1 . 1 . . . . 314 . . . 5752 1 856 . 1 1 177 177 ASN CB C 13 38.545 0.1 . 1 . . . . 314 . . . 5752 1 857 . 1 1 178 178 VAL H H 1 8.471 0.01 . 1 . . . . 315 . . . 5752 1 858 . 1 1 178 178 VAL N N 15 117.446 0.1 . 1 . . . . 315 . . . 5752 1 859 . 1 1 178 178 VAL CA C 13 56.55 0.1 . 1 . . . . 315 . . . 5752 1 860 . 1 1 178 178 VAL C C 13 177.156 0.1 . 1 . . . . 315 . . . 5752 1 861 . 1 1 178 178 VAL CB C 13 30.922 0.1 . 1 . . . . 315 . . . 5752 1 862 . 1 1 179 179 SER H H 1 8.701 0.01 . 1 . . . . 316 . . . 5752 1 863 . 1 1 179 179 SER N N 15 119.494 0.1 . 1 . . . . 316 . . . 5752 1 864 . 1 1 179 179 SER CA C 13 58.935 0.1 . 1 . . . . 316 . . . 5752 1 865 . 1 1 179 179 SER C C 13 175.409 0.1 . 1 . . . . 316 . . . 5752 1 866 . 1 1 179 179 SER CB C 13 60.72 0.1 . 1 . . . . 316 . . . 5752 1 867 . 1 1 180 180 ASP H H 1 7.027 0.01 . 1 . . . . 317 . . . 5752 1 868 . 1 1 180 180 ASP N N 15 111.74 0.1 . 1 . . . . 317 . . . 5752 1 869 . 1 1 180 180 ASP CA C 13 50.359 0.1 . 1 . . . . 317 . . . 5752 1 870 . 1 1 180 180 ASP C C 13 178.04 0.1 . 1 . . . . 317 . . . 5752 1 871 . 1 1 180 180 ASP CB C 13 40.069 0.1 . 1 . . . . 317 . . . 5752 1 872 . 1 1 181 181 GLU H H 1 11.588 0.01 . 1 . . . . 318 . . . 5752 1 873 . 1 1 181 181 GLU N N 15 121.191 0.1 . 1 . . . . 318 . . . 5752 1 874 . 1 1 181 181 GLU CA C 13 58.958 0.1 . 1 . . . . 318 . . . 5752 1 875 . 1 1 181 181 GLU C C 13 177.242 0.1 . 1 . . . . 318 . . . 5752 1 876 . 1 1 181 181 GLU CB C 13 25.656 0.1 . 1 . . . . 318 . . . 5752 1 877 . 1 1 182 182 ALA H H 1 8.174 0.01 . 1 . . . . 319 . . . 5752 1 878 . 1 1 182 182 ALA N N 15 121.07 0.1 . 1 . . . . 319 . . . 5752 1 879 . 1 1 182 182 ALA CA C 13 52.078 0.1 . 1 . . . . 319 . . . 5752 1 880 . 1 1 182 182 ALA C C 13 172.573 0.1 . 1 . . . . 319 . . . 5752 1 881 . 1 1 182 182 ALA CB C 13 14.638 0.1 . 1 . . . . 319 . . . 5752 1 882 . 1 1 183 183 ALA H H 1 7.681 0.01 . 1 . . . . 320 . . . 5752 1 883 . 1 1 183 183 ALA N N 15 120.059 0.1 . 1 . . . . 320 . . . 5752 1 884 . 1 1 183 183 ALA CA C 13 50.282 0.1 . 1 . . . . 320 . . . 5752 1 885 . 1 1 183 183 ALA C C 13 171.775 0.1 . 1 . . . . 320 . . . 5752 1 886 . 1 1 183 183 ALA CB C 13 15.816 0.1 . 1 . . . . 320 . . . 5752 1 887 . 1 1 184 184 LEU H H 1 7.311 0.01 . 1 . . . . 321 . . . 5752 1 888 . 1 1 184 184 LEU N N 15 118.907 0.1 . 1 . . . . 321 . . . 5752 1 889 . 1 1 184 184 LEU CA C 13 55.125 0.1 . 1 . . . . 321 . . . 5752 1 890 . 1 1 184 184 LEU C C 13 172.282 0.1 . 1 . . . . 321 . . . 5752 1 891 . 1 1 184 184 LEU CB C 13 37.921 0.1 . 1 . . . . 321 . . . 5752 1 892 . 1 1 185 185 LEU H H 1 7.255 0.01 . 1 . . . . 322 . . . 5752 1 893 . 1 1 185 185 LEU N N 15 117.747 0.1 . 1 . . . . 322 . . . 5752 1 894 . 1 1 185 185 LEU CA C 13 56.053 0.1 . 1 . . . . 322 . . . 5752 1 895 . 1 1 185 185 LEU C C 13 172.832 0.1 . 1 . . . . 322 . . . 5752 1 896 . 1 1 185 185 LEU CB C 13 38.268 0.1 . 1 . . . . 322 . . . 5752 1 897 . 1 1 186 186 GLU H H 1 7.568 0.01 . 1 . . . . 323 . . . 5752 1 898 . 1 1 186 186 GLU N N 15 115.448 0.1 . 1 . . . . 323 . . . 5752 1 899 . 1 1 186 186 GLU CA C 13 55.125 0.1 . 1 . . . . 323 . . . 5752 1 900 . 1 1 186 186 GLU C C 13 172.174 0.1 . 1 . . . . 323 . . . 5752 1 901 . 1 1 186 186 GLU CB C 13 26.21 0.1 . 1 . . . . 323 . . . 5752 1 902 . 1 1 187 187 LYS H H 1 7.629 0.01 . 1 . . . . 324 . . . 5752 1 903 . 1 1 187 187 LYS N N 15 115.076 0.1 . 1 . . . . 324 . . . 5752 1 904 . 1 1 187 187 LYS CA C 13 51.353 0.1 . 1 . . . . 324 . . . 5752 1 905 . 1 1 187 187 LYS C C 13 173.22 0.1 . 1 . . . . 324 . . . 5752 1 906 . 1 1 187 187 LYS CB C 13 28.22 0.1 . 1 . . . . 324 . . . 5752 1 907 . 1 1 188 188 ALA H H 1 7.554 0.01 . 1 . . . . 325 . . . 5752 1 908 . 1 1 188 188 ALA N N 15 121.671 0.1 . 1 . . . . 325 . . . 5752 1 909 . 1 1 188 188 ALA CA C 13 53.225 0.1 . 1 . . . . 325 . . . 5752 1 910 . 1 1 188 188 ALA C C 13 174.32 0.1 . 1 . . . . 325 . . . 5752 1 911 . 1 1 188 188 ALA CB C 13 16.162 0.1 . 1 . . . . 325 . . . 5752 1 912 . 1 1 189 189 GLY H H 1 8.305 0.01 . 1 . . . . 326 . . . 5752 1 913 . 1 1 189 189 GLY N N 15 105.684 0.1 . 1 . . . . 326 . . . 5752 1 914 . 1 1 189 189 GLY CA C 13 43.746 0.1 . 1 . . . . 326 . . . 5752 1 915 . 1 1 189 189 GLY C C 13 171.592 0.1 . 1 . . . . 326 . . . 5752 1 916 . 1 1 190 190 THR H H 1 7.622 0.01 . 1 . . . . 327 . . . 5752 1 917 . 1 1 190 190 THR N N 15 119.079 0.1 . 1 . . . . 327 . . . 5752 1 918 . 1 1 190 190 THR CA C 13 62.437 0.1 . 1 . . . . 327 . . . 5752 1 919 . 1 1 190 190 THR C C 13 174.784 0.1 . 1 . . . . 327 . . . 5752 1 920 . 1 1 190 190 THR CB C 13 65.917 0.1 . 1 . . . . 327 . . . 5752 1 921 . 1 1 191 191 LEU H H 1 7.939 0.01 . 1 . . . . 328 . . . 5752 1 922 . 1 1 191 191 LEU N N 15 121.671 0.1 . 1 . . . . 328 . . . 5752 1 923 . 1 1 191 191 LEU CA C 13 55.519 0.1 . 1 . . . . 328 . . . 5752 1 924 . 1 1 191 191 LEU C C 13 175 0.1 . 1 . . . . 328 . . . 5752 1 925 . 1 1 191 191 LEU CB C 13 38.406 0.1 . 1 . . . . 328 . . . 5752 1 926 . 1 1 192 192 GLY H H 1 7.645 0.01 . 1 . . . . 329 . . . 5752 1 927 . 1 1 192 192 GLY N N 15 104.328 0.1 . 1 . . . . 329 . . . 5752 1 928 . 1 1 192 192 GLY CA C 13 44.701 0.1 . 1 . . . . 329 . . . 5752 1 929 . 1 1 192 192 GLY C C 13 172.746 0.1 . 1 . . . . 329 . . . 5752 1 930 . 1 1 193 193 GLU H H 1 7.83 0.01 . 1 . . . . 330 . . . 5752 1 931 . 1 1 193 193 GLU N N 15 120.052 0.1 . 1 . . . . 330 . . . 5752 1 932 . 1 1 193 193 GLU CA C 13 56.436 0.1 . 1 . . . . 330 . . . 5752 1 933 . 1 1 193 193 GLU C C 13 175.873 0.1 . 1 . . . . 330 . . . 5752 1 934 . 1 1 193 193 GLU CB C 13 26.279 0.1 . 1 . . . . 330 . . . 5752 1 935 . 1 1 194 194 GLN H H 1 8.111 0.01 . 1 . . . . 331 . . . 5752 1 936 . 1 1 194 194 GLN N N 15 118.198 0.1 . 1 . . . . 331 . . . 5752 1 937 . 1 1 194 194 GLN CA C 13 55.278 0.1 . 1 . . . . 331 . . . 5752 1 938 . 1 1 194 194 GLN C C 13 171.29 0.1 . 1 . . . . 331 . . . 5752 1 939 . 1 1 194 194 GLN CB C 13 25.794 0.1 . 1 . . . . 331 . . . 5752 1 940 . 1 1 195 195 ILE H H 1 7.884 0.01 . 1 . . . . 332 . . . 5752 1 941 . 1 1 195 195 ILE N N 15 120.582 0.1 . 1 . . . . 332 . . . 5752 1 942 . 1 1 195 195 ILE CA C 13 61.749 0.1 . 1 . . . . 332 . . . 5752 1 943 . 1 1 195 195 ILE C C 13 172.034 0.1 . 1 . . . . 332 . . . 5752 1 944 . 1 1 195 195 ILE CB C 13 34.11 0.1 . 1 . . . . 332 . . . 5752 1 945 . 1 1 196 196 PHE H H 1 8.026 0.01 . 1 . . . . 333 . . . 5752 1 946 . 1 1 196 196 PHE N N 15 118.169 0.1 . 1 . . . . 333 . . . 5752 1 947 . 1 1 196 196 PHE CA C 13 56.971 0.1 . 1 . . . . 333 . . . 5752 1 948 . 1 1 196 196 PHE C C 13 174.363 0.1 . 1 . . . . 333 . . . 5752 1 949 . 1 1 196 196 PHE CB C 13 36.189 0.1 . 1 . . . . 333 . . . 5752 1 950 . 1 1 197 197 SER H H 1 7.459 0.01 . 1 . . . . 334 . . . 5752 1 951 . 1 1 197 197 SER N N 15 111.919 0.1 . 1 . . . . 334 . . . 5752 1 952 . 1 1 197 197 SER CA C 13 55.786 0.1 . 1 . . . . 334 . . . 5752 1 953 . 1 1 197 197 SER C C 13 174.342 0.1 . 1 . . . . 334 . . . 5752 1 954 . 1 1 197 197 SER CB C 13 61.274 0.1 . 1 . . . . 334 . . . 5752 1 955 . 1 1 198 198 ILE H H 1 7.429 0.01 . 1 . . . . 335 . . . 5752 1 956 . 1 1 198 198 ILE N N 15 123.819 0.1 . 1 . . . . 335 . . . 5752 1 957 . 1 1 198 198 ILE CA C 13 60.373 0.1 . 1 . . . . 335 . . . 5752 1 958 . 1 1 198 198 ILE C C 13 176.617 0.1 . 1 . . . . 335 . . . 5752 1 959 . 1 1 198 198 ILE CB C 13 35.149 0.1 . 1 . . . . 335 . . . 5752 1 960 . 1 1 199 199 GLU H H 1 8.258 0.01 . 1 . . . . 336 . . . 5752 1 961 . 1 1 199 199 GLU N N 15 124.921 0.1 . 1 . . . . 336 . . . 5752 1 962 . 1 1 199 199 GLU CA C 13 53.454 0.1 . 1 . . . . 336 . . . 5752 1 963 . 1 1 199 199 GLU C C 13 175.172 0.1 . 1 . . . . 336 . . . 5752 1 964 . 1 1 199 199 GLU CB C 13 27.527 0.1 . 1 . . . . 336 . . . 5752 1 965 . 1 1 200 200 GLY H H 1 7.779 0.01 . 1 . . . . 337 . . . 5752 1 966 . 1 1 200 200 GLY N N 15 115.956 0.1 . 1 . . . . 337 . . . 5752 1 967 . 1 1 200 200 GLY CA C 13 43.249 0.1 . 1 . . . . 337 . . . 5752 1 968 . 1 1 200 200 GLY C C 13 175.398 0.1 . 1 . . . . 337 . . . 5752 1 stop_ save_