data_7161 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C and 15N Chemical Shift Assignments of Ezrin C ERMAD in a non-covalent complex with Ezrin N FERM ; _BMRB_accession_number 7161 _BMRB_flat_file_name bmr7161.str _Entry_type original _Submission_date 2006-06-07 _Accession_date 2006-06-07 _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 Jayaraman Bhargavi . . 2 Nicholson Linda K. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 102 "13C chemical shifts" 293 "15N chemical shifts" 102 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-09 update BMRB 'complete entry citation' 2006-10-02 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone Resonance Assignments of Ezrin C ERMAD in a non-covalent complex with Ezrin N FERM' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17131035 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jayaraman Bhargavi . . 2 Nicholson Linda K. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 'Suppl. 5' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 63 _Page_last 63 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Ezrin FERM C ERMAD Complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'C ERMAD' $C_terminal_domain_of_Ezrin 'N FERM' $N_terminal_domain_of_Ezrin stop_ _System_molecular_weight 49500 _System_physical_state native _System_oligomer_state 'protein-protein complex' _System_paramagnetic no _System_thiol_state unknown loop_ _Biological_function 'Cytoskeletal membrane crosslinker' stop_ _Database_query_date . _Details 'Non-covalent complex of isotopically labelled Ezrin C ERMAD and natural abundance Ezrin FERM domain' save_ ######################## # Monomeric polymers # ######################## save_C_terminal_domain_of_Ezrin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'C ERMAD' _Molecular_mass 14580 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 112 _Mol_residue_sequence ; PPVYEPVSYHVQESLQDEGA EPTGYSAELSSEGIRDDRNE EKRITEAEKNERVQRQLLTL SSELSQARDENKRTHNDIIH NENMRQGRDKYKTLRQIRQG NTKQRIDEFEAL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 475 PRO 2 476 PRO 3 477 VAL 4 478 TYR 5 479 GLU 6 480 PRO 7 481 VAL 8 482 SER 9 483 TYR 10 484 HIS 11 485 VAL 12 486 GLN 13 487 GLU 14 488 SER 15 489 LEU 16 490 GLN 17 491 ASP 18 492 GLU 19 493 GLY 20 494 ALA 21 495 GLU 22 496 PRO 23 497 THR 24 498 GLY 25 499 TYR 26 500 SER 27 501 ALA 28 502 GLU 29 503 LEU 30 504 SER 31 505 SER 32 506 GLU 33 507 GLY 34 508 ILE 35 509 ARG 36 510 ASP 37 511 ASP 38 512 ARG 39 513 ASN 40 514 GLU 41 515 GLU 42 516 LYS 43 517 ARG 44 518 ILE 45 519 THR 46 520 GLU 47 521 ALA 48 522 GLU 49 523 LYS 50 524 ASN 51 525 GLU 52 526 ARG 53 527 VAL 54 528 GLN 55 529 ARG 56 530 GLN 57 531 LEU 58 532 LEU 59 533 THR 60 534 LEU 61 535 SER 62 536 SER 63 537 GLU 64 538 LEU 65 539 SER 66 540 GLN 67 541 ALA 68 542 ARG 69 543 ASP 70 544 GLU 71 545 ASN 72 546 LYS 73 547 ARG 74 548 THR 75 549 HIS 76 550 ASN 77 551 ASP 78 552 ILE 79 553 ILE 80 554 HIS 81 555 ASN 82 556 GLU 83 557 ASN 84 558 MET 85 559 ARG 86 560 GLN 87 561 GLY 88 562 ARG 89 563 ASP 90 564 LYS 91 565 TYR 92 566 LYS 93 567 THR 94 568 LEU 95 569 ARG 96 570 GLN 97 571 ILE 98 572 ARG 99 573 GLN 100 574 GLY 101 575 ASN 102 576 THR 103 577 LYS 104 578 GLN 105 579 ARG 106 580 ILE 107 581 ASP 108 582 GLU 109 583 PHE 110 584 GLU 111 585 ALA 112 586 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1NI2 "Structure Of The Active Ferm Domain Of Ezrin" 100.00 296 100.00 100.00 0.00e+00 DBJ BAB22341 "unnamed protein product [Mus musculus]" 100.00 586 97.97 99.66 0.00e+00 DBJ BAE22456 "unnamed protein product [Mus musculus]" 100.00 586 97.97 99.66 0.00e+00 DBJ BAE22499 "unnamed protein product [Mus musculus]" 100.00 586 97.97 99.66 0.00e+00 DBJ BAE26602 "unnamed protein product [Mus musculus]" 99.66 586 97.96 99.66 0.00e+00 DBJ BAE35312 "unnamed protein product [Mus musculus]" 100.00 586 97.97 99.66 0.00e+00 EMBL CAA35893 "unnamed protein product [Homo sapiens]" 100.00 586 100.00 100.00 0.00e+00 EMBL CAA43086 "ezrin [Mus musculus]" 100.00 586 97.97 99.66 0.00e+00 EMBL CAB82418 "hypothetical protein [Homo sapiens]" 100.00 630 100.00 100.00 0.00e+00 GB AAA30510 "ezrin [Bos taurus]" 100.00 581 97.97 99.32 0.00e+00 GB AAA61278 "cytovillin 2 [Homo sapiens]" 96.61 575 100.00 100.00 0.00e+00 GB AAH13903 "Ezrin [Homo sapiens]" 100.00 586 100.00 100.00 0.00e+00 GB AAH48181 "Ezrin [Mus musculus]" 100.00 586 97.97 99.66 0.00e+00 GB AAH68458 "Ezrin [Homo sapiens]" 100.00 586 100.00 100.00 0.00e+00 PIR T47177 "hypothetical protein DKFZp762H157.1 - human (fragment)" 100.00 630 100.00 100.00 0.00e+00 REF NP_001104547 "ezrin [Homo sapiens]" 100.00 586 100.00 100.00 0.00e+00 REF NP_001267458 "ezrin [Pan troglodytes]" 98.98 604 100.00 100.00 0.00e+00 REF NP_001273918 "ezrin [Canis lupus familiaris]" 100.00 586 98.64 99.32 0.00e+00 REF NP_003370 "ezrin [Homo sapiens]" 100.00 586 100.00 100.00 0.00e+00 REF NP_033536 "ezrin [Mus musculus]" 100.00 586 97.97 99.66 0.00e+00 SP P15311 "RecName: Full=Ezrin; AltName: Full=Cytovillin; AltName: Full=Villin-2; AltName: Full=p81 [Homo sapiens]" 100.00 586 100.00 100.00 0.00e+00 SP P26040 "RecName: Full=Ezrin; AltName: Full=Cytovillin; AltName: Full=Villin-2; AltName: Full=p81 [Mus musculus]" 100.00 586 97.97 99.66 0.00e+00 SP P31976 "RecName: Full=Ezrin; AltName: Full=Cytovillin; AltName: Full=Villin-2; AltName: Full=p81 [Bos taurus]" 100.00 581 97.97 99.32 0.00e+00 SP P31977 "RecName: Full=Ezrin; AltName: Full=Cytovillin; AltName: Full=Villin-2; AltName: Full=p81 [Rattus norvegicus]" 100.00 586 97.97 99.66 0.00e+00 TPG DAA25983 "TPA: ezrin [Bos taurus]" 100.00 581 97.97 99.32 0.00e+00 stop_ save_ save_N_terminal_domain_of_Ezrin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'N FERM' _Molecular_mass 34800 _Mol_thiol_state unknown _Details . _Residue_count 297 _Mol_residue_sequence ; PKPINVRVTTMDAELEFAIQ PNTTGKQLFDQVVKTIGLRE VWYFGLHYVDNKGFPTWLKL DKKVSAQEVRKENPLQFKFR AKFYPEDVAEELIQDITQKL FFLQVKEGILSDEIYCPPET AVLLGSYAVQAKFGDYNKEV HKSGYLSSERLIPQRVMDQH KLTRDQWEDRIQVWHAEHRG MLKDNAMLEYLKIAQDLEMY GINYFEIKNKKGTDLWLGVD ALGLNIYEKDDKLTPKIGFP WSEIRNISFNDKKFVIKPID KKAPDFVFYAPRLRINKRIL QLCMGNHELYMRRRK ; loop_ _Residue_seq_code _Residue_label 1 PRO 2 LYS 3 PRO 4 ILE 5 ASN 6 VAL 7 ARG 8 VAL 9 THR 10 THR 11 MET 12 ASP 13 ALA 14 GLU 15 LEU 16 GLU 17 PHE 18 ALA 19 ILE 20 GLN 21 PRO 22 ASN 23 THR 24 THR 25 GLY 26 LYS 27 GLN 28 LEU 29 PHE 30 ASP 31 GLN 32 VAL 33 VAL 34 LYS 35 THR 36 ILE 37 GLY 38 LEU 39 ARG 40 GLU 41 VAL 42 TRP 43 TYR 44 PHE 45 GLY 46 LEU 47 HIS 48 TYR 49 VAL 50 ASP 51 ASN 52 LYS 53 GLY 54 PHE 55 PRO 56 THR 57 TRP 58 LEU 59 LYS 60 LEU 61 ASP 62 LYS 63 LYS 64 VAL 65 SER 66 ALA 67 GLN 68 GLU 69 VAL 70 ARG 71 LYS 72 GLU 73 ASN 74 PRO 75 LEU 76 GLN 77 PHE 78 LYS 79 PHE 80 ARG 81 ALA 82 LYS 83 PHE 84 TYR 85 PRO 86 GLU 87 ASP 88 VAL 89 ALA 90 GLU 91 GLU 92 LEU 93 ILE 94 GLN 95 ASP 96 ILE 97 THR 98 GLN 99 LYS 100 LEU 101 PHE 102 PHE 103 LEU 104 GLN 105 VAL 106 LYS 107 GLU 108 GLY 109 ILE 110 LEU 111 SER 112 ASP 113 GLU 114 ILE 115 TYR 116 CYS 117 PRO 118 PRO 119 GLU 120 THR 121 ALA 122 VAL 123 LEU 124 LEU 125 GLY 126 SER 127 TYR 128 ALA 129 VAL 130 GLN 131 ALA 132 LYS 133 PHE 134 GLY 135 ASP 136 TYR 137 ASN 138 LYS 139 GLU 140 VAL 141 HIS 142 LYS 143 SER 144 GLY 145 TYR 146 LEU 147 SER 148 SER 149 GLU 150 ARG 151 LEU 152 ILE 153 PRO 154 GLN 155 ARG 156 VAL 157 MET 158 ASP 159 GLN 160 HIS 161 LYS 162 LEU 163 THR 164 ARG 165 ASP 166 GLN 167 TRP 168 GLU 169 ASP 170 ARG 171 ILE 172 GLN 173 VAL 174 TRP 175 HIS 176 ALA 177 GLU 178 HIS 179 ARG 180 GLY 181 MET 182 LEU 183 LYS 184 ASP 185 ASN 186 ALA 187 MET 188 LEU 189 GLU 190 TYR 191 LEU 192 LYS 193 ILE 194 ALA 195 GLN 196 ASP 197 LEU 198 GLU 199 MET 200 TYR 201 GLY 202 ILE 203 ASN 204 TYR 205 PHE 206 GLU 207 ILE 208 LYS 209 ASN 210 LYS 211 LYS 212 GLY 213 THR 214 ASP 215 LEU 216 TRP 217 LEU 218 GLY 219 VAL 220 ASP 221 ALA 222 LEU 223 GLY 224 LEU 225 ASN 226 ILE 227 TYR 228 GLU 229 LYS 230 ASP 231 ASP 232 LYS 233 LEU 234 THR 235 PRO 236 LYS 237 ILE 238 GLY 239 PHE 240 PRO 241 TRP 242 SER 243 GLU 244 ILE 245 ARG 246 ASN 247 ILE 248 SER 249 PHE 250 ASN 251 ASP 252 LYS 253 LYS 254 PHE 255 VAL 256 ILE 257 LYS 258 PRO 259 ILE 260 ASP 261 LYS 262 LYS 263 ALA 264 PRO 265 ASP 266 PHE 267 VAL 268 PHE 269 TYR 270 ALA 271 PRO 272 ARG 273 LEU 274 ARG 275 ILE 276 ASN 277 LYS 278 ARG 279 ILE 280 LEU 281 GLN 282 LEU 283 CYS 284 MET 285 GLY 286 ASN 287 HIS 288 GLU 289 LEU 290 TYR 291 MET 292 ARG 293 ARG 294 ARG 295 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $C_terminal_domain_of_Ezrin Human 9606 Eukaryota Metazoa Homo sapiens $N_terminal_domain_of_Ezrin Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $C_terminal_domain_of_Ezrin 'recombinant technology' 'E. coli' Escherichia coli 'BL21 DE3' Plasmid . $N_terminal_domain_of_Ezrin 'recombinant technology' 'E. coli' Escherichia coli 'BL21 DE3' Plasmid . 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 _Isotopic_labeling $C_terminal_domain_of_Ezrin 0.5 mM '[U-99% 13C; U-99% 15N; U-95% 2H]' $N_terminal_domain_of_Ezrin 0.5 mM 'natural abundance' 'Acetic Acid' 10 mM 'natural abundance' 'Sodium Acetate' 90 mM 'natural abundance' DTT 5 mM 'natural abundance' 'Sodium Azide' 15 mM 'natural abundance' 'Protease inhibitors' . mM 'natural abundance' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _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_15N-edited_NOESY_(80,_100_and_150_ms_mixing_times)_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY (80, 100 and 150 ms mixing times)' _Sample_label $sample_1 save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HNCOCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _Sample_label $sample_1 save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_CBCACONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.7 0.1 pH temperature 303 2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'C ERMAD' _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 1 476 2 PRO C C 176.7 0.3 1 2 476 2 PRO CA C 63.01 0.3 1 3 476 2 PRO CB C 31.75 0.3 1 4 477 3 VAL H H 8.002 0.02 1 5 477 3 VAL C C 175.8 0.3 1 6 477 3 VAL CA C 62.48 0.3 1 7 477 3 VAL CB C 32.92 0.3 1 8 477 3 VAL N N 120.2 0.2 1 9 478 4 TYR H H 8.216 0.02 1 10 478 4 TYR C C 175.2 0.3 1 11 478 4 TYR CA C 57.84 0.3 1 12 478 4 TYR CB C 39.25 0.3 1 13 478 4 TYR N N 124.6 0.2 1 14 479 5 GLU H H 8.118 0.02 1 15 479 5 GLU CA C 54.11 0.3 1 16 479 5 GLU CB C 30.42 0.3 1 17 479 5 GLU N N 125.7 0.2 1 18 480 6 PRO C C 176.4 0.3 1 19 480 6 PRO CA C 62.97 0.3 1 20 481 7 VAL H H 7.937 0.02 1 21 481 7 VAL C C 176.3 0.3 1 22 481 7 VAL CA C 62.65 0.3 1 23 481 7 VAL CB C 32.45 0.3 1 24 481 7 VAL N N 119.9 0.2 1 25 482 8 SER H H 8.328 0.02 1 26 482 8 SER C C 175.8 0.3 1 27 482 8 SER CA C 58.58 0.3 1 28 482 8 SER CB C 64.69 0.3 1 29 482 8 SER N N 119.6 0.2 1 30 483 9 TYR H H 8.241 0.02 1 31 483 9 TYR CA C 58.1 0.3 1 32 483 9 TYR CB C 39.31 0.3 1 33 483 9 TYR N N 124.9 0.2 1 34 484 10 HIS C C 177.7 0.3 1 35 484 10 HIS CA C 56.04 0.3 1 36 485 11 VAL H H 8.163 0.02 1 37 485 11 VAL C C 176 0.3 1 38 485 11 VAL CA C 62.47 0.3 1 39 485 11 VAL CB C 32.92 0.3 1 40 485 11 VAL N N 121.8 0.2 1 41 486 12 GLN H H 8.626 0.02 1 42 486 12 GLN C C 176.1 0.3 1 43 486 12 GLN CA C 56.27 0.3 1 44 486 12 GLN CB C 29.35 0.3 1 45 486 12 GLN N N 125 0.2 1 46 487 13 GLU H H 8.539 0.02 1 47 487 13 GLU C C 176.5 0.3 1 48 487 13 GLU CA C 56.82 0.3 1 49 487 13 GLU CB C 30.56 0.3 1 50 487 13 GLU N N 123.6 0.2 1 51 488 14 SER H H 8.314 0.02 1 52 488 14 SER C C 174.5 0.3 1 53 488 14 SER CA C 58.66 0.3 1 54 488 14 SER CB C 64.29 0.3 1 55 488 14 SER N N 117.3 0.2 1 56 489 15 LEU H H 8.314 0.02 1 57 489 15 LEU C C 177.5 0.3 1 58 489 15 LEU CA C 55.5 0.3 1 59 489 15 LEU CB C 42.17 0.3 1 60 489 15 LEU N N 124.7 0.2 1 61 490 16 GLN H H 8.354 0.02 1 62 490 16 GLN C C 175.8 0.3 1 63 490 16 GLN CA C 56.24 0.3 1 64 490 16 GLN CB C 29.44 0.3 1 65 490 16 GLN N N 121.1 0.2 1 66 491 17 ASP H H 8.318 0.02 1 67 491 17 ASP C C 176.5 0.3 1 68 491 17 ASP CA C 54.75 0.3 1 69 491 17 ASP CB C 41.74 0.3 1 70 491 17 ASP N N 121.9 0.2 1 71 492 18 GLU H H 8.452 0.02 1 72 492 18 GLU C C 177.3 0.3 1 73 492 18 GLU CA C 57.46 0.3 1 74 492 18 GLU CB C 30.11 0.3 1 75 492 18 GLU N N 122.1 0.2 1 76 493 19 GLY H H 8.477 0.02 1 77 493 19 GLY C C 174 0.3 1 78 493 19 GLY CA C 45.66 0.3 1 79 493 19 GLY N N 110.3 0.2 1 80 494 20 ALA H H 7.995 0.02 1 81 494 20 ALA C C 177.6 0.3 1 82 494 20 ALA CA C 52.5 0.3 1 83 494 20 ALA CB C 19.86 0.3 1 84 494 20 ALA N N 123.9 0.2 1 85 495 21 GLU H H 8.264 0.02 1 86 495 21 GLU CA C 54.8 0.3 1 87 495 21 GLU CB C 30.02 0.3 1 88 495 21 GLU N N 121.4 0.2 1 89 496 22 PRO C C 177.2 0.3 1 90 496 22 PRO CA C 63.66 0.3 1 91 496 22 PRO CB C 32.04 0.3 1 92 497 23 THR H H 8.186 0.02 1 93 497 23 THR C C 173.9 0.3 1 94 497 23 THR CA C 62.71 0.3 1 95 497 23 THR CB C 69.98 0.3 1 96 497 23 THR N N 111.9 0.2 1 97 498 24 GLY H H 7.399 0.02 1 98 498 24 GLY C C 173.9 0.3 1 99 498 24 GLY CA C 45.54 0.3 1 100 498 24 GLY N N 108.7 0.2 1 101 499 25 TYR H H 8.41 0.02 1 102 499 25 TYR C C 176.1 0.3 1 103 499 25 TYR CA C 54.08 0.3 1 104 499 25 TYR CB C 43.11 0.3 1 105 499 25 TYR N N 119.5 0.2 1 106 500 26 SER H H 8.518 0.02 1 107 500 26 SER CA C 58.07 0.3 1 108 500 26 SER CB C 64.82 0.3 1 109 500 26 SER N N 117.2 0.2 1 110 501 27 ALA CA C 52.29 0.3 1 111 501 27 ALA CB C 19.66 0.3 1 112 502 28 GLU H H 8.319 0.02 1 113 502 28 GLU C C 176 0.3 1 114 502 28 GLU CA C 55.95 0.3 1 115 502 28 GLU N N 121.9 0.2 1 116 503 29 LEU H H 8.4 0.02 1 117 503 29 LEU CA C 54.21 0.3 1 118 503 29 LEU CB C 41.83 0.3 1 119 503 29 LEU N N 127.4 0.2 1 120 504 30 SER C C 175.1 0.3 1 121 504 30 SER CA C 58.13 0.3 1 122 505 31 SER H H 8.815 0.02 1 123 505 31 SER C C 174.2 0.3 1 124 505 31 SER CA C 57.59 0.3 1 125 505 31 SER N N 121 0.2 1 126 506 32 GLU H H 7.99 0.02 1 127 506 32 GLU C C 177.8 0.3 1 128 506 32 GLU CA C 57.72 0.3 1 129 506 32 GLU CB C 30.09 0.3 1 130 506 32 GLU N N 122.4 0.2 1 131 507 33 GLY H H 8.694 0.02 1 132 507 33 GLY C C 174.7 0.3 1 133 507 33 GLY CA C 46.22 0.3 1 134 507 33 GLY N N 110.9 0.2 1 135 508 34 ILE H H 7.339 0.02 1 136 508 34 ILE CA C 61.47 0.3 1 137 508 34 ILE CB C 40.41 0.3 1 138 508 34 ILE N N 114 0.2 1 139 509 35 ARG C C 176.2 0.3 1 140 510 36 ASP H H 8.142 0.02 1 141 510 36 ASP C C 178.2 0.3 1 142 510 36 ASP CA C 58.38 0.3 1 143 510 36 ASP CB C 39.96 0.3 1 144 510 36 ASP N N 120.6 0.2 1 145 511 37 ASP H H 8.033 0.02 1 146 511 37 ASP C C 175 0.3 1 147 511 37 ASP CA C 57.75 0.3 1 148 511 37 ASP CB C 39.31 0.3 1 149 511 37 ASP N N 122.9 0.2 1 150 512 38 ARG H H 8.089 0.02 1 151 512 38 ARG CA C 54.08 0.3 1 152 512 38 ARG CB C 30.47 0.3 1 153 512 38 ARG N N 125.1 0.2 1 154 513 39 ASN C C 175.1 0.3 1 155 513 39 ASN CA C 52.07 0.3 1 156 514 40 GLU H H 8.335 0.02 9 157 514 40 GLU CB C 30.31 0.3 9 158 514 40 GLU N N 123.9 0.2 9 159 515 41 GLU C C 177.4 0.3 5 160 515 41 GLU CA C 59.62 0.3 1 161 516 42 LYS H H 8.308 0.02 1 162 516 42 LYS C C 176.5 0.3 1 163 516 42 LYS CA C 55.26 0.3 1 164 516 42 LYS N N 122.3 0.2 1 165 517 43 ARG H H 6.772 0.02 1 166 517 43 ARG C C 173.8 0.3 1 167 517 43 ARG CA C 57.44 0.3 1 168 517 43 ARG CB C 30.51 0.3 1 169 517 43 ARG N N 122.1 0.2 1 170 518 44 ILE H H 7.663 0.02 1 171 518 44 ILE C C 176.5 0.3 1 172 518 44 ILE CA C 59.14 0.3 1 173 518 44 ILE CB C 40.47 0.3 1 174 518 44 ILE N N 116.4 0.2 1 175 519 45 THR H H 8.578 0.02 1 176 519 45 THR C C 175.7 0.3 1 177 519 45 THR CA C 61.84 0.3 1 178 519 45 THR N N 114.6 0.2 1 179 520 46 GLU H H 10.46 0.02 1 180 520 46 GLU C C 178.6 0.3 1 181 520 46 GLU CA C 58.29 0.3 1 182 520 46 GLU CB C 31.67 0.3 1 183 520 46 GLU N N 125.9 0.2 1 184 521 47 ALA H H 8.386 0.02 1 185 521 47 ALA C C 177.4 0.3 1 186 521 47 ALA CA C 55.03 0.3 1 187 521 47 ALA CB C 17.98 0.3 1 188 521 47 ALA N N 118.6 0.2 1 189 522 48 GLU H H 7.328 0.02 1 190 522 48 GLU C C 178.1 0.3 1 191 522 48 GLU CA C 58.41 0.3 1 192 522 48 GLU CB C 30.25 0.3 1 193 522 48 GLU N N 114.6 0.2 1 194 523 49 LYS H H 8.066 0.02 1 195 523 49 LYS C C 176.4 0.3 1 196 523 49 LYS CA C 58.08 0.3 1 197 523 49 LYS CB C 33.51 0.3 1 198 523 49 LYS N N 118.4 0.2 1 199 524 50 ASN H H 8.283 0.02 1 200 524 50 ASN C C 174.4 0.3 1 201 524 50 ASN CA C 51.8 0.3 1 202 524 50 ASN CB C 39.07 0.3 1 203 524 50 ASN N N 119.8 0.2 1 204 525 51 GLU H H 8.769 0.02 1 205 525 51 GLU C C 178 0.3 1 206 525 51 GLU CA C 59.42 0.3 1 207 525 51 GLU CB C 29.33 0.3 1 208 525 51 GLU N N 124.9 0.2 1 209 526 52 ARG H H 7.917 0.02 1 210 526 52 ARG C C 178.8 0.3 1 211 526 52 ARG CA C 59.78 0.3 1 212 526 52 ARG CB C 29.72 0.3 1 213 526 52 ARG N N 120.1 0.2 1 214 527 53 VAL H H 7.096 0.02 1 215 527 53 VAL C C 177.8 0.3 1 216 527 53 VAL CA C 66.14 0.3 1 217 527 53 VAL CB C 32.27 0.3 1 218 527 53 VAL N N 120.9 0.2 1 219 528 54 GLN H H 8.172 0.02 1 220 528 54 GLN CA C 61.05 0.3 1 221 528 54 GLN N N 120.2 0.2 1 222 529 55 ARG H H 8.394 0.02 9 223 529 55 ARG C C 178.9 0.3 9 224 529 55 ARG CA C 59.97 0.3 9 225 529 55 ARG N N 122.6 0.2 9 226 530 56 GLN H H 8.122 0.02 1 227 530 56 GLN C C 178.3 0.3 1 228 530 56 GLN CA C 59.93 0.3 1 229 530 56 GLN CB C 29.69 0.3 1 230 530 56 GLN N N 118.1 0.2 1 231 531 57 LEU H H 8.483 0.02 1 232 531 57 LEU C C 180.1 0.3 1 233 531 57 LEU CA C 58.6 0.3 1 234 531 57 LEU CB C 41.61 0.3 1 235 531 57 LEU N N 118.9 0.2 1 236 532 58 LEU H H 8.121 0.02 1 237 532 58 LEU C C 180.9 0.3 1 238 532 58 LEU CA C 58.53 0.3 1 239 532 58 LEU CB C 41.59 0.3 1 240 532 58 LEU N N 121.3 0.2 1 241 533 59 THR H H 8.432 0.02 1 242 533 59 THR C C 177.4 0.3 1 243 533 59 THR CA C 67.31 0.3 1 244 533 59 THR N N 119.5 0.2 1 245 534 60 LEU H H 8.503 0.02 1 246 534 60 LEU C C 179 0.3 1 247 534 60 LEU CA C 58.86 0.3 1 248 534 60 LEU CB C 43.05 0.3 1 249 534 60 LEU N N 123.8 0.2 1 250 535 61 SER H H 8.471 0.02 1 251 535 61 SER C C 177.9 0.3 1 252 535 61 SER CA C 62.19 0.3 1 253 535 61 SER N N 114.7 0.2 1 254 536 62 SER H H 7.643 0.02 1 255 536 62 SER C C 180 0.3 5 256 536 62 SER CA C 61.74 0.3 1 257 536 62 SER CB C 63.46 0.3 1 258 536 62 SER N N 116.8 0.2 1 259 537 63 GLU H H 8.305 0.02 1 260 537 63 GLU C C 180.2 0.3 1 261 537 63 GLU CA C 59.84 0.3 1 262 537 63 GLU CB C 29.78 0.3 1 263 537 63 GLU N N 122.2 0.2 1 264 538 64 LEU H H 8.743 0.02 1 265 538 64 LEU C C 179.8 0.3 1 266 538 64 LEU CA C 57.35 0.3 1 267 538 64 LEU CB C 40.51 0.3 1 268 538 64 LEU N N 118.4 0.2 1 269 539 65 SER H H 7.822 0.02 1 270 539 65 SER C C 176.9 0.3 1 271 539 65 SER CA C 62.59 0.3 1 272 539 65 SER CB C 63.59 0.3 1 273 539 65 SER N N 114.2 0.2 1 274 540 66 GLN H H 7.418 0.02 1 275 540 66 GLN C C 176.2 0.3 1 276 540 66 GLN CA C 57.67 0.3 1 277 540 66 GLN CB C 29.03 0.3 1 278 540 66 GLN N N 118 0.2 1 279 541 67 ALA H H 7.634 0.02 1 280 541 67 ALA C C 176.1 0.3 1 281 541 67 ALA CA C 51.17 0.3 1 282 541 67 ALA CB C 20.36 0.3 1 283 541 67 ALA N N 120.2 0.2 1 284 542 68 ARG H H 7.369 0.02 1 285 542 68 ARG C C 175.4 0.3 1 286 542 68 ARG CA C 56.92 0.3 1 287 542 68 ARG CB C 31.49 0.3 1 288 542 68 ARG N N 121.9 0.2 1 289 543 69 ASP H H 8.332 0.02 1 290 543 69 ASP C C 177.5 0.3 1 291 543 69 ASP CA C 52.8 0.3 1 292 543 69 ASP CB C 40.99 0.3 1 293 543 69 ASP N N 124.7 0.2 1 294 544 70 GLU H H 9.095 0.02 1 295 544 70 GLU C C 177.9 0.3 1 296 544 70 GLU CA C 58.84 0.3 1 297 544 70 GLU CB C 29.48 0.3 1 298 544 70 GLU N N 126 0.2 1 299 545 71 ASN H H 8.535 0.02 1 300 545 71 ASN C C 176.2 0.3 1 301 545 71 ASN CA C 54.84 0.3 1 302 545 71 ASN CB C 38.81 0.3 1 303 545 71 ASN N N 115.9 0.2 1 304 546 72 LYS H H 7.615 0.02 1 305 546 72 LYS C C 176 0.3 1 306 546 72 LYS CA C 55.34 0.3 1 307 546 72 LYS CB C 33.07 0.3 1 308 546 72 LYS N N 118.8 0.2 1 309 547 73 ARG H H 7.349 0.02 1 310 547 73 ARG C C 176.4 0.3 1 311 547 73 ARG CA C 57.33 0.3 1 312 547 73 ARG CB C 31.42 0.3 1 313 547 73 ARG N N 121 0.2 1 314 548 74 THR H H 9.441 0.02 1 315 548 74 THR CA C 60.57 0.3 1 316 548 74 THR CB C 72.53 0.3 1 317 548 74 THR N N 115.5 0.2 1 318 549 75 HIS H H 9.091 0.02 1 319 549 75 HIS C C 177 0.3 1 320 549 75 HIS CA C 59.84 0.3 1 321 549 75 HIS N N 120.9 0.2 1 322 550 76 ASN H H 8.367 0.02 1 323 550 76 ASN C C 176.9 0.3 1 324 550 76 ASN CA C 55.31 0.3 1 325 550 76 ASN CB C 37.86 0.3 1 326 550 76 ASN N N 116.1 0.2 1 327 551 77 ASP H H 7.378 0.02 1 328 551 77 ASP C C 178.3 0.3 1 329 551 77 ASP CA C 57.72 0.3 1 330 551 77 ASP CB C 41.81 0.3 1 331 551 77 ASP N N 119.5 0.2 1 332 552 78 ILE H H 7.61 0.02 1 333 552 78 ILE C C 179.2 0.3 1 334 552 78 ILE CA C 65.27 0.3 1 335 552 78 ILE CB C 37.95 0.3 1 336 552 78 ILE N N 121.2 0.2 1 337 553 79 ILE H H 7.8 0.02 1 338 553 79 ILE C C 178.3 0.3 1 339 553 79 ILE CA C 64.63 0.3 1 340 553 79 ILE CB C 37.95 0.3 1 341 553 79 ILE N N 121.6 0.2 1 342 554 80 HIS H H 8.519 0.02 1 343 554 80 HIS C C 177.2 0.3 1 344 554 80 HIS CA C 60.16 0.3 1 345 554 80 HIS CB C 29.2 0.3 1 346 554 80 HIS N N 118.2 0.2 1 347 555 81 ASN H H 8.613 0.02 1 348 555 81 ASN C C 174.2 0.3 1 349 555 81 ASN CA C 56.65 0.3 1 350 555 81 ASN CB C 38.34 0.3 1 351 555 81 ASN N N 117.7 0.2 1 352 556 82 GLU H H 8.03 0.02 1 353 556 82 GLU C C 178.8 0.3 1 354 556 82 GLU CA C 59.02 0.3 1 355 556 82 GLU CB C 28.63 0.3 1 356 556 82 GLU N N 122.7 0.2 1 357 557 83 ASN H H 8.38 0.02 1 358 557 83 ASN C C 178.7 0.3 1 359 557 83 ASN CA C 56.48 0.3 1 360 557 83 ASN CB C 37.17 0.3 1 361 557 83 ASN N N 120 0.2 1 362 558 84 MET H H 8.247 0.02 1 363 558 84 MET C C 180.9 0.3 1 364 558 84 MET CA C 57.85 0.3 1 365 558 84 MET CB C 33.3 0.3 1 366 558 84 MET N N 119.6 0.2 1 367 559 85 ARG H H 8.149 0.02 1 368 559 85 ARG C C 178.4 0.3 1 369 559 85 ARG CA C 59.6 0.3 1 370 559 85 ARG CB C 29.93 0.3 1 371 559 85 ARG N N 123.4 0.2 1 372 560 86 GLN H H 7.477 0.02 1 373 560 86 GLN C C 176.2 0.3 1 374 560 86 GLN CA C 55.81 0.3 1 375 560 86 GLN CB C 29.82 0.3 1 376 560 86 GLN N N 115.1 0.2 1 377 561 87 GLY H H 7.888 0.02 1 378 561 87 GLY C C 175.1 0.3 1 379 561 87 GLY CA C 46.62 0.3 1 380 561 87 GLY N N 109.4 0.2 1 381 562 88 ARG H H 8.046 0.02 1 382 562 88 ARG C C 175.6 0.3 1 383 562 88 ARG CA C 56.45 0.3 1 384 562 88 ARG CB C 30.44 0.3 1 385 562 88 ARG N N 119.6 0.2 1 386 563 89 ASP H H 7.029 0.02 1 387 563 89 ASP C C 176.2 0.3 1 388 563 89 ASP CA C 53.85 0.3 1 389 563 89 ASP CB C 42.78 0.3 1 390 563 89 ASP N N 118.2 0.2 1 391 564 90 LYS H H 8.835 0.02 1 392 564 90 LYS C C 177.9 0.3 1 393 564 90 LYS CA C 60.54 0.3 1 394 564 90 LYS CB C 34.23 0.3 1 395 564 90 LYS N N 119.4 0.2 1 396 565 91 TYR H H 8.659 0.02 1 397 565 91 TYR CA C 60.25 0.3 1 398 565 91 TYR N N 121.8 0.2 1 399 566 92 LYS H H 7.443 0.02 1 400 566 92 LYS C C 181.1 0.3 1 401 566 92 LYS CA C 60.21 0.3 1 402 566 92 LYS N N 119.3 0.2 1 403 567 93 THR H H 8.329 0.02 1 404 567 93 THR C C 175.2 0.3 1 405 567 93 THR CA C 67.21 0.3 1 406 567 93 THR N N 116.9 0.2 1 407 568 94 LEU H H 7.354 0.02 1 408 568 94 LEU C C 177.7 0.3 1 409 568 94 LEU CA C 58.1 0.3 1 410 568 94 LEU CB C 42.41 0.3 1 411 568 94 LEU N N 122.2 0.2 1 412 569 95 ARG H H 7.667 0.02 1 413 569 95 ARG C C 179.3 0.3 1 414 569 95 ARG CA C 59.79 0.3 1 415 569 95 ARG CB C 30.44 0.3 1 416 569 95 ARG N N 115.1 0.2 1 417 570 96 GLN H H 7.641 0.02 1 418 570 96 GLN C C 179.8 0.3 1 419 570 96 GLN CA C 59.25 0.3 1 420 570 96 GLN CB C 28.77 0.3 1 421 570 96 GLN N N 118.5 0.2 1 422 571 97 ILE H H 8.329 0.02 1 423 571 97 ILE C C 176.9 0.3 1 424 571 97 ILE CA C 63.96 0.3 1 425 571 97 ILE CB C 36.84 0.3 1 426 571 97 ILE N N 112.3 0.2 1 427 572 98 ARG H H 6.829 0.02 1 428 572 98 ARG C C 175.2 0.3 1 429 572 98 ARG CA C 55.76 0.3 1 430 572 98 ARG CB C 31.74 0.3 1 431 572 98 ARG N N 120 0.2 1 432 573 99 GLN H H 6.968 0.02 1 433 573 99 GLN C C 177.6 0.3 1 434 573 99 GLN CA C 57.17 0.3 1 435 573 99 GLN CB C 30.12 0.3 1 436 573 99 GLN N N 117.7 0.2 1 437 574 100 GLY H H 8.187 0.02 1 438 574 100 GLY C C 174.5 0.3 1 439 574 100 GLY CA C 44.33 0.3 1 440 574 100 GLY N N 108 0.2 1 441 575 101 ASN H H 8.543 0.02 1 442 575 101 ASN C C 175.3 0.3 1 443 575 101 ASN CA C 52.89 0.3 1 444 575 101 ASN CB C 39.07 0.3 1 445 575 101 ASN N N 118.6 0.2 1 446 576 102 THR H H 8.557 0.02 1 447 576 102 THR C C 176.2 0.3 1 448 576 102 THR CA C 68.57 0.3 1 449 576 102 THR N N 116 0.2 1 450 577 103 LYS H H 8.69 0.02 1 451 577 103 LYS C C 176.9 0.3 1 452 577 103 LYS CA C 60.95 0.3 1 453 577 103 LYS CB C 32.4 0.3 1 454 577 103 LYS N N 120.3 0.2 1 455 578 104 GLN H H 8.159 0.02 1 456 578 104 GLN C C 179.7 0.3 1 457 578 104 GLN CA C 59.58 0.3 1 458 578 104 GLN CB C 28.61 0.3 1 459 578 104 GLN N N 118.4 0.2 1 460 579 105 ARG H H 7.56 0.02 1 461 579 105 ARG C C 178.5 0.3 1 462 579 105 ARG CA C 60.47 0.3 1 463 579 105 ARG CB C 31.19 0.3 1 464 579 105 ARG N N 119.2 0.2 1 465 580 106 ILE H H 8.549 0.02 1 466 580 106 ILE C C 178.2 0.3 1 467 580 106 ILE CA C 66.69 0.3 1 468 580 106 ILE CB C 37.97 0.3 1 469 580 106 ILE N N 122.9 0.2 1 470 581 107 ASP H H 9.056 0.02 1 471 581 107 ASP C C 180.7 0.3 1 472 581 107 ASP CA C 58.03 0.3 1 473 581 107 ASP CB C 39.58 0.3 1 474 581 107 ASP N N 121.6 0.2 1 475 582 108 GLU H H 8.164 0.02 1 476 582 108 GLU C C 179.1 0.3 1 477 582 108 GLU CA C 59.31 0.3 1 478 582 108 GLU CB C 28.72 0.3 1 479 582 108 GLU N N 121 0.2 1 480 583 109 PHE H H 8.354 0.02 1 481 583 109 PHE C C 177.6 0.3 1 482 583 109 PHE CA C 61.05 0.3 1 483 583 109 PHE N N 123 0.2 1 484 584 110 GLU H H 8.644 0.02 1 485 584 110 GLU C C 177.6 0.3 1 486 584 110 GLU CA C 57.88 0.3 1 487 584 110 GLU CB C 29.37 0.3 1 488 584 110 GLU N N 117.7 0.2 1 489 585 111 ALA H H 7.408 0.02 1 490 585 111 ALA C C 178.4 0.3 1 491 585 111 ALA CA C 52.46 0.3 1 492 585 111 ALA CB C 19.8 0.3 1 493 585 111 ALA N N 119.4 0.2 1 494 586 112 LEU H H 7.108 0.02 1 495 586 112 LEU CA C 58.85 0.3 1 496 586 112 LEU CB C 42.41 0.3 1 497 586 112 LEU N N 126.4 0.2 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 159 255 stop_ save_