data_17177 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Partial backbone 1H,15N chemical shift of arrestin-1 ; _BMRB_accession_number 17177 _BMRB_flat_file_name bmr17177.str _Entry_type original _Submission_date 2010-09-10 _Accession_date 2010-09-10 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhuang Tiandi . . 2 Vishnivetskiy Sergey . . 3 Gurevich Vsevolod . . 4 Sanders Charles . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 146 "15N chemical shifts" 146 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-12-14 update BMRB 'update entry citation' 2010-11-19 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_visual_arrestin _Saveframe_category entry_citation _Citation_full . _Citation_title 'Elucidation of inositol hexaphosphate and heparin interaction sites and conformational changes in arrestin-1 by solution nuclear magnetic resonance.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21050017 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhuang Tiandi . . 2 Vishnivetskiy Sergey A. . 3 Gurevich Vsevolod V. . 4 Sanders Charles R. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 49 _Journal_issue 49 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 10473 _Page_last 10485 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'visual arrestin' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'visual arrestin' $arrestin-1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_arrestin-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common arrestin-1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 404 _Mol_residue_sequence ; MKANKPAPNHVIFKKISRDK SVTIYLGKRDYIDHVERVEP VDGVVLVDPELVKGKRVYVS LTCAFRYGQEDIDVMGLSFR RDLYASQVQVFPPVGASGAT TRLQESLIKKLGANTYPFLL TFPDYLPCSVMLQPAPQDVG KSCGVDFEIKAFATHSTDVE EDKIPKKSSVRLLIRKVQHA PRDMGPQPRAEASWQFAMSD KPLRLAVSLSKEIYYHGEPI PVTVAVTNSTEKTVKKIKVL VEQVTNVVLYSSDYYIKTVA AEEAQEKVPPNSSLTKTLTL VPLLANNRERRGIALDGKIK HEDTNLASSTIIKEGIDKTV MGILVSYQIKVKLTVSGLLG ELTSSEVATEVPFRLMHPQP EDPDTAKESFQDENFVFEEF ARQNLKDAGEYKEEKTDQEA AMDE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 ALA 4 ASN 5 LYS 6 PRO 7 ALA 8 PRO 9 ASN 10 HIS 11 VAL 12 ILE 13 PHE 14 LYS 15 LYS 16 ILE 17 SER 18 ARG 19 ASP 20 LYS 21 SER 22 VAL 23 THR 24 ILE 25 TYR 26 LEU 27 GLY 28 LYS 29 ARG 30 ASP 31 TYR 32 ILE 33 ASP 34 HIS 35 VAL 36 GLU 37 ARG 38 VAL 39 GLU 40 PRO 41 VAL 42 ASP 43 GLY 44 VAL 45 VAL 46 LEU 47 VAL 48 ASP 49 PRO 50 GLU 51 LEU 52 VAL 53 LYS 54 GLY 55 LYS 56 ARG 57 VAL 58 TYR 59 VAL 60 SER 61 LEU 62 THR 63 CYS 64 ALA 65 PHE 66 ARG 67 TYR 68 GLY 69 GLN 70 GLU 71 ASP 72 ILE 73 ASP 74 VAL 75 MET 76 GLY 77 LEU 78 SER 79 PHE 80 ARG 81 ARG 82 ASP 83 LEU 84 TYR 85 ALA 86 SER 87 GLN 88 VAL 89 GLN 90 VAL 91 PHE 92 PRO 93 PRO 94 VAL 95 GLY 96 ALA 97 SER 98 GLY 99 ALA 100 THR 101 THR 102 ARG 103 LEU 104 GLN 105 GLU 106 SER 107 LEU 108 ILE 109 LYS 110 LYS 111 LEU 112 GLY 113 ALA 114 ASN 115 THR 116 TYR 117 PRO 118 PHE 119 LEU 120 LEU 121 THR 122 PHE 123 PRO 124 ASP 125 TYR 126 LEU 127 PRO 128 CYS 129 SER 130 VAL 131 MET 132 LEU 133 GLN 134 PRO 135 ALA 136 PRO 137 GLN 138 ASP 139 VAL 140 GLY 141 LYS 142 SER 143 CYS 144 GLY 145 VAL 146 ASP 147 PHE 148 GLU 149 ILE 150 LYS 151 ALA 152 PHE 153 ALA 154 THR 155 HIS 156 SER 157 THR 158 ASP 159 VAL 160 GLU 161 GLU 162 ASP 163 LYS 164 ILE 165 PRO 166 LYS 167 LYS 168 SER 169 SER 170 VAL 171 ARG 172 LEU 173 LEU 174 ILE 175 ARG 176 LYS 177 VAL 178 GLN 179 HIS 180 ALA 181 PRO 182 ARG 183 ASP 184 MET 185 GLY 186 PRO 187 GLN 188 PRO 189 ARG 190 ALA 191 GLU 192 ALA 193 SER 194 TRP 195 GLN 196 PHE 197 ALA 198 MET 199 SER 200 ASP 201 LYS 202 PRO 203 LEU 204 ARG 205 LEU 206 ALA 207 VAL 208 SER 209 LEU 210 SER 211 LYS 212 GLU 213 ILE 214 TYR 215 TYR 216 HIS 217 GLY 218 GLU 219 PRO 220 ILE 221 PRO 222 VAL 223 THR 224 VAL 225 ALA 226 VAL 227 THR 228 ASN 229 SER 230 THR 231 GLU 232 LYS 233 THR 234 VAL 235 LYS 236 LYS 237 ILE 238 LYS 239 VAL 240 LEU 241 VAL 242 GLU 243 GLN 244 VAL 245 THR 246 ASN 247 VAL 248 VAL 249 LEU 250 TYR 251 SER 252 SER 253 ASP 254 TYR 255 TYR 256 ILE 257 LYS 258 THR 259 VAL 260 ALA 261 ALA 262 GLU 263 GLU 264 ALA 265 GLN 266 GLU 267 LYS 268 VAL 269 PRO 270 PRO 271 ASN 272 SER 273 SER 274 LEU 275 THR 276 LYS 277 THR 278 LEU 279 THR 280 LEU 281 VAL 282 PRO 283 LEU 284 LEU 285 ALA 286 ASN 287 ASN 288 ARG 289 GLU 290 ARG 291 ARG 292 GLY 293 ILE 294 ALA 295 LEU 296 ASP 297 GLY 298 LYS 299 ILE 300 LYS 301 HIS 302 GLU 303 ASP 304 THR 305 ASN 306 LEU 307 ALA 308 SER 309 SER 310 THR 311 ILE 312 ILE 313 LYS 314 GLU 315 GLY 316 ILE 317 ASP 318 LYS 319 THR 320 VAL 321 MET 322 GLY 323 ILE 324 LEU 325 VAL 326 SER 327 TYR 328 GLN 329 ILE 330 LYS 331 VAL 332 LYS 333 LEU 334 THR 335 VAL 336 SER 337 GLY 338 LEU 339 LEU 340 GLY 341 GLU 342 LEU 343 THR 344 SER 345 SER 346 GLU 347 VAL 348 ALA 349 THR 350 GLU 351 VAL 352 PRO 353 PHE 354 ARG 355 LEU 356 MET 357 HIS 358 PRO 359 GLN 360 PRO 361 GLU 362 ASP 363 PRO 364 ASP 365 THR 366 ALA 367 LYS 368 GLU 369 SER 370 PHE 371 GLN 372 ASP 373 GLU 374 ASN 375 PHE 376 VAL 377 PHE 378 GLU 379 GLU 380 PHE 381 ALA 382 ARG 383 GLN 384 ASN 385 LEU 386 LYS 387 ASP 388 ALA 389 GLY 390 GLU 391 TYR 392 LYS 393 GLU 394 GLU 395 LYS 396 THR 397 ASP 398 GLN 399 GLU 400 ALA 401 ALA 402 MET 403 ASP 404 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-18 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1AYR "Arrestin From Bovine Rod Outer Segments" 90.84 368 99.46 99.46 0.00e+00 PDB 1CF1 "Arrestin From Bovine Rod Outer Segments" 99.75 404 99.50 99.50 0.00e+00 PDB 3UGU "Crystal Structure Of P44 (Splice Variant Of Visual Arrestin)" 91.34 380 99.46 99.46 0.00e+00 PDB 3UGX "Crystal Structure Of Visual Arrestin" 100.00 414 99.50 99.50 0.00e+00 PDB 4J2Q "Crystal Structure Of C-terminally Truncated Arrestin Reveals Mechanism Of Arrestin Activation" 91.34 380 99.46 99.46 0.00e+00 PDB 4ZRG "Visual Arrestin Mutant - R175e" 100.00 418 99.26 99.26 0.00e+00 EMBL CAA27179 "put. S-antigen C-terminus [Bos taurus]" 59.16 239 99.58 99.58 1.01e-167 GB AAA20465 "arrestin [Bos taurus]" 91.34 370 99.46 99.46 0.00e+00 GB AAA30377 "S-antigen [Bos taurus]" 100.00 404 98.51 99.26 0.00e+00 GB AAA30378 "retinal S antigen [Bos taurus]" 100.00 404 99.50 99.50 0.00e+00 GB AAB31037 "p44=arrestin {alternatively spliced} [cattle, retinas, rod outer segment, Peptide, 370 aa]" 91.34 370 99.46 99.46 0.00e+00 GB ELR56916 "S-arrestin, partial [Bos mutus]" 100.00 408 99.01 99.01 0.00e+00 REF NP_851343 "S-arrestin [Bos taurus]" 91.34 370 99.46 99.46 0.00e+00 REF XP_005895068 "PREDICTED: S-arrestin isoform X1 [Bos mutus]" 100.00 404 99.01 99.01 0.00e+00 REF XP_005895069 "PREDICTED: S-arrestin isoform X2 [Bos mutus]" 91.34 370 98.92 98.92 0.00e+00 REF XP_006041822 "PREDICTED: S-arrestin isoform X1 [Bubalus bubalis]" 100.00 404 98.27 98.51 0.00e+00 REF XP_006041824 "PREDICTED: S-arrestin isoform X3 [Bubalus bubalis]" 91.34 370 98.10 98.37 0.00e+00 SP P08168 "RecName: Full=S-arrestin; AltName: Full=48 kDa protein; AltName: Full=Retinal S-antigen; Short=S-AG; AltName: Full=Rod photorec" 100.00 404 99.50 99.50 0.00e+00 TPG DAA30932 "TPA: S-arrestin [Bos taurus]" 91.34 370 99.46 99.46 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $arrestin-1 cattle 9913 Eukaryota Metazoa Bos taurus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $arrestin-1 'recombinant technology' . Escherichia coli . pTrc stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $arrestin-1 . mM 0.1 0.5 '[U-100% 13C; U-100% 15N; U-80% 2H]' Bis-Tris 25 mM . . 'natural abundance' 'sodium chloride' 150 mM . . 'natural abundance' beta-mercaptoethanol 5 mM . . 'natural abundance' H2O 95 % . . 'natural abundance' D2O 5 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_Sparta _Saveframe_category software _Name Sparta _Version . loop_ _Vendor _Address _Electronic_address 'Yang Shen, Ad Bax' . . stop_ loop_ _Task 'chemical shift calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HN(COCA)CB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'visual arrestin' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 4 4 ASN H H 8.293 . 1 2 4 4 ASN N N 118.627 . 1 3 5 5 LYS H H 8.043 . 1 4 5 5 LYS N N 122.796 . 1 5 7 7 ALA H H 8.230 . 1 6 7 7 ALA N N 125.849 . 1 7 10 10 HIS H H 8.459 . 1 8 10 10 HIS N N 121.936 . 1 9 11 11 VAL H H 8.374 . 1 10 11 11 VAL N N 127.560 . 1 11 12 12 ILE H H 8.449 . 1 12 12 12 ILE N N 127.808 . 1 13 14 14 LYS H H 8.796 . 1 14 14 14 LYS N N 118.940 . 1 15 16 16 ILE H H 8.487 . 1 16 16 16 ILE N N 127.296 . 1 17 17 17 SER H H 8.787 . 1 18 17 17 SER N N 122.916 . 1 19 20 20 LYS H H 8.453 . 1 20 20 20 LYS N N 121.716 . 1 21 21 21 SER H H 8.002 . 1 22 21 21 SER N N 115.490 . 1 23 26 26 LEU H H 9.178 . 1 24 26 26 LEU N N 119.238 . 1 25 27 27 GLY H H 8.621 . 1 26 27 27 GLY N N 106.132 . 1 27 28 28 LYS H H 7.569 . 1 28 28 28 LYS N N 114.457 . 1 29 31 31 TYR H H 8.998 . 1 30 31 31 TYR N N 123.018 . 1 31 32 32 ILE H H 9.283 . 1 32 32 32 ILE N N 124.036 . 1 33 33 33 ASP H H 8.694 . 1 34 33 33 ASP N N 127.982 . 1 35 37 37 ARG H H 6.689 . 1 36 37 37 ARG N N 112.617 . 1 37 38 38 VAL H H 8.189 . 1 38 38 38 VAL N N 120.397 . 1 39 39 39 GLU H H 8.548 . 1 40 39 39 GLU N N 130.819 . 1 41 41 41 VAL H H 8.388 . 1 42 41 41 VAL N N 119.506 . 1 43 54 54 GLY H H 8.790 . 1 44 54 54 GLY N N 114.266 . 1 45 55 55 LYS H H 8.286 . 1 46 55 55 LYS N N 119.911 . 1 47 58 58 TYR H H 8.293 . 1 48 58 58 TYR N N 126.536 . 1 49 63 63 CYS H H 9.163 . 1 50 63 63 CYS N N 126.496 . 1 51 64 64 ALA H H 8.985 . 1 52 64 64 ALA N N 131.856 . 1 53 65 65 PHE H H 8.939 . 1 54 65 65 PHE N N 121.315 . 1 55 67 67 TYR H H 8.613 . 1 56 67 67 TYR N N 121.157 . 1 57 72 72 ILE H H 8.227 . 1 58 72 72 ILE N N 117.817 . 1 59 73 73 ASP H H 8.339 . 1 60 73 73 ASP N N 122.096 . 1 61 74 74 VAL H H 7.328 . 1 62 74 74 VAL N N 118.179 . 1 63 75 75 MET H H 8.289 . 1 64 75 75 MET N N 122.956 . 1 65 76 76 GLY H H 8.315 . 1 66 76 76 GLY N N 109.665 . 1 67 77 77 LEU H H 7.939 . 1 68 77 77 LEU N N 122.096 . 1 69 88 88 VAL H H 9.069 . 1 70 88 88 VAL N N 120.437 . 1 71 89 89 GLN H H 8.745 . 1 72 89 89 GLN N N 126.276 . 1 73 94 94 VAL H H 8.474 . 1 74 94 94 VAL N N 119.797 . 1 75 95 95 GLY H H 8.203 . 1 76 95 95 GLY N N 111.856 . 1 77 96 96 ALA H H 8.191 . 1 78 96 96 ALA N N 124.176 . 1 79 97 97 SER H H 8.290 . 1 80 97 97 SER N N 115.652 . 1 81 98 98 GLY H H 8.165 . 1 82 98 98 GLY N N 110.436 . 1 83 99 99 ALA H H 8.261 . 1 84 99 99 ALA N N 124.376 . 1 85 107 107 LEU H H 8.303 . 1 86 107 107 LEU N N 121.217 . 1 87 108 108 ILE H H 8.469 . 1 88 108 108 ILE N N 120.937 . 1 89 109 109 LYS H H 7.605 . 1 90 109 109 LYS N N 119.637 . 1 91 110 110 LYS H H 7.545 . 1 92 110 110 LYS N N 117.317 . 1 93 118 118 PHE H H 7.865 . 1 94 118 118 PHE N N 121.456 . 1 95 120 120 LEU H H 9.093 . 1 96 120 120 LEU N N 126.756 . 1 97 121 121 THR H H 7.875 . 1 98 121 121 THR N N 111.602 . 1 99 122 122 PHE H H 8.690 . 1 100 122 122 PHE N N 118.499 . 1 101 135 135 ALA H H 8.434 . 1 102 135 135 ALA N N 125.891 . 1 103 139 139 VAL H H 7.351 . 1 104 139 139 VAL N N 118.179 . 1 105 145 145 VAL H H 8.834 . 1 106 145 145 VAL N N 119.573 . 1 107 151 151 ALA H H 8.611 . 1 108 151 151 ALA N N 123.215 . 1 109 152 152 PHE H H 8.438 . 1 110 152 152 PHE N N 115.618 . 1 111 153 153 ALA H H 7.893 . 1 112 153 153 ALA N N 122.416 . 1 113 154 154 THR H H 9.219 . 1 114 154 154 THR N N 114.700 . 1 115 162 162 ASP H H 7.827 . 1 116 162 162 ASP N N 121.716 . 1 117 163 163 LYS H H 7.829 . 1 118 163 163 LYS N N 119.097 . 1 119 167 167 LYS H H 6.785 . 1 120 167 167 LYS N N 122.116 . 1 121 172 172 LEU H H 8.993 . 1 122 172 172 LEU N N 129.476 . 1 123 174 174 ILE H H 7.947 . 1 124 174 174 ILE N N 117.577 . 1 125 182 182 ARG H H 8.817 . 1 126 182 182 ARG N N 117.680 . 1 127 183 183 ASP H H 7.689 . 1 128 183 183 ASP N N 116.637 . 1 129 184 184 MET H H 8.327 . 1 130 184 184 MET N N 119.370 . 1 131 185 185 GLY H H 8.971 . 1 132 185 185 GLY N N 110.017 . 1 133 189 189 ARG H H 8.395 . 1 134 189 189 ARG N N 124.397 . 1 135 190 190 ALA H H 8.387 . 1 136 190 190 ALA N N 125.176 . 1 137 197 197 ALA H H 8.069 . 1 138 197 197 ALA N N 123.894 . 1 139 198 198 MET H H 7.776 . 1 140 198 198 MET N N 125.043 . 1 141 201 201 LYS H H 7.742 . 1 142 201 201 LYS N N 120.170 . 1 143 207 207 VAL H H 9.073 . 1 144 207 207 VAL N N 122.771 . 1 145 208 208 SER H H 8.955 . 1 146 208 208 SER N N 119.733 . 1 147 213 213 ILE H H 7.387 . 1 148 213 213 ILE N N 120.317 . 1 149 226 226 VAL H H 9.505 . 1 150 226 226 VAL N N 126.036 . 1 151 227 227 THR H H 9.245 . 1 152 227 227 THR N N 124.936 . 1 153 232 232 LYS H H 7.851 . 1 154 232 232 LYS N N 118.277 . 1 155 233 233 THR H H 8.193 . 1 156 233 233 THR N N 115.451 . 1 157 239 239 VAL H H 8.995 . 1 158 239 239 VAL N N 124.316 . 1 159 240 240 LEU H H 9.137 . 1 160 240 240 LEU N N 126.096 . 1 161 260 260 ALA H H 7.737 . 1 162 260 260 ALA N N 121.696 . 1 163 261 261 ALA H H 8.527 . 1 164 261 261 ALA N N 122.416 . 1 165 262 262 GLU H H 9.107 . 1 166 262 262 GLU N N 121.436 . 1 167 263 263 GLU H H 8.889 . 1 168 263 263 GLU N N 121.877 . 1 169 272 272 SER H H 7.987 . 1 170 272 272 SER N N 112.488 . 1 171 274 274 LEU H H 8.835 . 1 172 274 274 LEU N N 124.176 . 1 173 275 275 THR H H 8.505 . 1 174 275 275 THR N N 123.696 . 1 175 276 276 LYS H H 9.125 . 1 176 276 276 LYS N N 127.676 . 1 177 277 277 THR H H 8.663 . 1 178 277 277 THR N N 122.236 . 1 179 279 279 THR H H 8.433 . 1 180 279 279 THR N N 117.102 . 1 181 280 280 LEU H H 8.150 . 1 182 280 280 LEU N N 121.062 . 1 183 281 281 VAL H H 7.827 . 1 184 281 281 VAL N N 118.937 . 1 185 283 283 LEU H H 8.085 . 1 186 283 283 LEU N N 127.656 . 1 187 284 284 LEU H H 8.550 . 1 188 284 284 LEU N N 118.458 . 1 189 287 287 ASN H H 6.839 . 1 190 287 287 ASN N N 117.217 . 1 191 288 288 ARG H H 6.963 . 1 192 288 288 ARG N N 120.930 . 1 193 294 294 ALA H H 7.407 . 1 194 294 294 ALA N N 129.456 . 1 195 298 298 LYS H H 8.021 . 1 196 298 298 LYS N N 120.937 . 1 197 299 299 ILE H H 7.475 . 1 198 299 299 ILE N N 122.516 . 1 199 311 311 ILE H H 8.519 . 1 200 311 311 ILE N N 129.976 . 1 201 312 312 ILE H H 8.427 . 1 202 312 312 ILE N N 128.696 . 1 203 318 318 LYS H H 8.627 . 1 204 318 318 LYS N N 126.400 . 1 205 327 327 TYR H H 7.639 . 1 206 327 327 TYR N N 126.670 . 1 207 337 337 GLY H H 8.228 . 1 208 337 337 GLY N N 111.239 . 1 209 338 338 LEU H H 7.953 . 1 210 338 338 LEU N N 121.037 . 1 211 359 359 GLN H H 7.591 . 1 212 359 359 GLN N N 120.479 . 1 213 361 361 GLU H H 8.348 . 1 214 361 361 GLU N N 121.791 . 1 215 362 362 ASP H H 8.286 . 1 216 362 362 ASP N N 118.029 . 1 217 364 364 ASP H H 8.401 . 1 218 364 364 ASP N N 120.080 . 1 219 365 365 THR H H 7.857 . 1 220 365 365 THR N N 114.233 . 1 221 366 366 ALA H H 8.065 . 1 222 366 366 ALA N N 125.845 . 1 223 367 367 LYS H H 7.947 . 1 224 367 367 LYS N N 119.877 . 1 225 368 368 GLU H H 8.141 . 1 226 368 368 GLU N N 121.337 . 1 227 369 369 SER H H 8.034 . 1 228 369 369 SER N N 116.322 . 1 229 370 370 PHE H H 8.107 . 1 230 370 370 PHE N N 121.656 . 1 231 371 371 GLN H H 7.451 . 1 232 371 371 GLN N N 127.416 . 1 233 373 373 GLU H H 8.009 . 1 234 373 373 GLU N N 119.257 . 1 235 374 374 ASN H H 8.387 . 1 236 374 374 ASN N N 123.416 . 1 237 376 376 VAL H H 7.983 . 1 238 376 376 VAL N N 120.437 . 1 239 377 377 PHE H H 8.395 . 1 240 377 377 PHE N N 122.776 . 1 241 378 378 GLU H H 8.917 . 1 242 378 378 GLU N N 124.596 . 1 243 379 379 GLU H H 8.731 . 1 244 379 379 GLU N N 122.738 . 1 245 380 380 PHE H H 8.823 . 1 246 380 380 PHE N N 124.456 . 1 247 382 382 ARG H H 8.203 . 1 248 382 382 ARG N N 122.658 . 1 249 383 383 GLN H H 8.015 . 1 250 383 383 GLN N N 120.077 . 1 251 384 384 ASN H H 8.670 . 1 252 384 384 ASN N N 123.917 . 1 253 385 385 LEU H H 8.466 . 1 254 385 385 LEU N N 122.924 . 1 255 386 386 LYS H H 8.567 . 1 256 386 386 LYS N N 123.956 . 1 257 387 387 ASP H H 8.243 . 1 258 387 387 ASP N N 121.180 . 1 259 388 388 ALA H H 8.137 . 1 260 388 388 ALA N N 124.416 . 1 261 389 389 GLY H H 8.312 . 1 262 389 389 GLY N N 107.772 . 1 263 390 390 GLU H H 8.093 . 1 264 390 390 GLU N N 120.677 . 1 265 391 391 TYR H H 8.071 . 1 266 391 391 TYR N N 121.297 . 1 267 392 392 LYS H H 7.971 . 1 268 392 392 LYS N N 124.416 . 1 269 393 393 GLU H H 8.273 . 1 270 393 393 GLU N N 122.836 . 1 271 394 394 GLU H H 8.343 . 1 272 394 394 GLU N N 123.236 . 1 273 395 395 LYS H H 8.359 . 1 274 395 395 LYS N N 123.068 . 1 275 396 396 THR H H 8.203 . 1 276 396 396 THR N N 115.547 . 1 277 397 397 ASP H H 8.331 . 1 278 397 397 ASP N N 122.516 . 1 279 398 398 GLN H H 8.222 . 1 280 398 398 GLN N N 120.525 . 1 281 399 399 GLU H H 8.285 . 1 282 399 399 GLU N N 121.836 . 1 283 400 400 ALA H H 8.117 . 1 284 400 400 ALA N N 124.836 . 1 285 401 401 ALA H H 8.093 . 1 286 401 401 ALA N N 123.316 . 1 287 402 402 MET H H 8.167 . 1 288 402 402 MET N N 119.557 . 1 289 403 403 ASP H H 8.236 . 1 290 403 403 ASP N N 121.955 . 1 291 404 404 GLU H H 7.763 . 1 292 404 404 GLU N N 125.996 . 1 stop_ save_