data_27839 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Iga1 Protease G5 domain ; _BMRB_accession_number 27839 _BMRB_flat_file_name bmr27839.str _Entry_type original _Submission_date 2019-03-19 _Accession_date 2019-03-19 _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 Eisenmesser Elan Z. . 2 Chi 'Ying-Chih Chi' . . 3 Paukovich Natasia . . 4 Redzic Jasmina S. . 5 Rahkola Jeremy T. . 6 Janoff Edward N. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 393 "13C chemical shifts" 329 "15N chemical shifts" 78 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-02-21 update BMRB 'update entry citation' 2019-04-24 original author 'original release' stop_ _Original_release_date 2019-03-20 save_ ############################# # Citation for this entry # ############################# save_Citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Streptococcus pneumoniae G5 domains bind different ligands ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31390088 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Paukovich Natasia . . 2 Redzic Jasmina S. . 3 Chi Ying-Chih C. . 4 Rahkola Jeremy T. . 5 Issaian Aaron . . 6 Blue Ashley . . 7 Hansen Kirk C. . 8 Janoff Edward N. . 9 Eisenmesser Elan Z. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 28 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1797 _Page_last 1805 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'IgA1 protease G5 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'IgA1 protease G5 monomer' $IgA1P-G5 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_IgA1P-G5 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common IgA1P-G5 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 84 _Mol_residue_sequence ; GSHNKPELLYREETIETKID FQEEIQENPDLAEGTVRVKQ EGKLGKKVEIVRIFSVNKEE VSREIVSTSTTAPSPRIVEK GTKK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 310 GLY 2 311 SER 3 312 HIS 4 313 ASN 5 314 LYS 6 315 PRO 7 316 GLU 8 317 LEU 9 318 LEU 10 319 TYR 11 320 ARG 12 321 GLU 13 322 GLU 14 323 THR 15 324 ILE 16 325 GLU 17 326 THR 18 327 LYS 19 328 ILE 20 329 ASP 21 330 PHE 22 331 GLN 23 332 GLU 24 333 GLU 25 334 ILE 26 335 GLN 27 336 GLU 28 337 ASN 29 338 PRO 30 339 ASP 31 340 LEU 32 341 ALA 33 342 GLU 34 343 GLY 35 344 THR 36 345 VAL 37 346 ARG 38 347 VAL 39 348 LYS 40 349 GLN 41 350 GLU 42 351 GLY 43 352 LYS 44 353 LEU 45 354 GLY 46 355 LYS 47 356 LYS 48 357 VAL 49 358 GLU 50 359 ILE 51 360 VAL 52 361 ARG 53 362 ILE 54 363 PHE 55 364 SER 56 365 VAL 57 366 ASN 58 367 LYS 59 368 GLU 60 369 GLU 61 370 VAL 62 371 SER 63 372 ARG 64 373 GLU 65 374 ILE 66 375 VAL 67 376 SER 68 377 THR 69 378 SER 70 379 THR 71 380 THR 72 381 ALA 73 382 PRO 74 383 SER 75 384 PRO 76 385 ARG 77 386 ILE 78 387 VAL 79 388 GLU 80 389 LYS 81 390 GLY 82 391 THR 83 392 LYS 84 393 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 $IgA1P-G5 'E. coli' 562 Bacteria . Escherichia coli 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 $IgA1P-G5 'recombinant technology' . Escherichia coli . pj401 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 $IgA1P-G5 0.5 mM '[U-13C; U-15N; U-2H]' MES 50 mM 'natural abundance' NaCl 150 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model DRX _Field_strength 900 _Details . save_ save_spectrometer_2 _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '50 mM MES, pH 6.5, 150 mM NaCl' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 6.5 . pH pressure 1 . atm temperature 25 . 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 glucose C 13 'methyl carbons' ppm 4.78 internal indirect . . . 1.0 water H 1 protons ppm 4.78 internal indirect . . . 1.0 '[15N] ammonium chloride' N 15 nitrogen ppm 4.78 internal indirect . . . 1.0 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' 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 'IgA1 protease G5 monomer' _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 1 311 2 SER HA H 4.473 0.000 1 2 311 2 SER HB2 H 3.830 0.000 1 3 311 2 SER HB3 H 3.830 0.000 1 4 311 2 SER C C 177.039 0.000 1 5 311 2 SER CA C 58.429 0.000 1 6 311 2 SER CB C 64.165 0.000 1 7 313 4 ASN HA H 4.683 0.000 1 8 313 4 ASN HB2 H 2.717 0.000 1 9 313 4 ASN HB3 H 2.768 0.000 1 10 313 4 ASN C C 176.255 0.000 1 11 313 4 ASN CA C 53.312 0.000 1 12 313 4 ASN CB C 38.975 0.000 1 13 314 5 LYS H H 8.282 0.000 1 14 314 5 LYS HB2 H 1.832 0.000 1 15 314 5 LYS HB3 H 1.832 0.000 1 16 314 5 LYS HG2 H 1.456 0.000 1 17 314 5 LYS HG3 H 1.456 0.000 1 18 314 5 LYS C C 176.621 0.000 1 19 314 5 LYS CA C 54.357 0.000 1 20 314 5 LYS CB C 32.610 0.000 1 21 314 5 LYS N N 122.862 0.000 1 22 315 6 PRO HA H 4.467 0.000 1 23 315 6 PRO HB2 H 2.244 0.000 1 24 315 6 PRO HB3 H 1.829 0.000 1 25 315 6 PRO HG2 H 2.006 0.000 1 26 315 6 PRO HG3 H 2.003 0.000 1 27 315 6 PRO HD2 H 3.784 0.000 1 28 315 6 PRO HD3 H 3.671 0.000 1 29 315 6 PRO C C 174.475 0.000 1 30 315 6 PRO CA C 63.204 0.000 1 31 315 6 PRO CB C 32.153 0.000 1 32 315 6 PRO CG C 27.250 0.000 1 33 315 6 PRO CD C 50.768 0.000 1 34 316 7 GLU H H 8.492 0.000 1 35 316 7 GLU HA H 4.339 0.000 1 36 316 7 GLU HB2 H 1.975 0.000 1 37 316 7 GLU HB3 H 2.036 0.000 1 38 316 7 GLU C C 175.513 0.000 1 39 316 7 GLU CA C 56.217 0.000 1 40 316 7 GLU CB C 30.602 0.000 1 41 316 7 GLU CG C 36.313 0.000 1 42 316 7 GLU N N 121.548 0.000 1 43 317 8 LEU H H 8.275 0.000 1 44 317 8 LEU HA H 4.727 0.000 1 45 317 8 LEU HB2 H 1.689 0.000 1 46 317 8 LEU HB3 H 1.689 0.000 1 47 317 8 LEU C C 174.523 0.000 1 48 317 8 LEU CA C 54.876 0.000 1 49 317 8 LEU CB C 42.994 0.000 1 50 317 8 LEU CG C 24.861 0.000 1 51 317 8 LEU N N 125.661 0.000 1 52 318 9 LEU H H 8.610 0.000 1 53 318 9 LEU HA H 4.637 0.000 1 54 318 9 LEU HB2 H 1.605 0.000 1 55 318 9 LEU HB3 H 1.605 0.000 1 56 318 9 LEU HD1 H 0.922 0.000 1 57 318 9 LEU HD2 H 0.878 0.000 1 58 318 9 LEU C C 175.500 0.000 1 59 318 9 LEU CA C 54.556 0.000 1 60 318 9 LEU CB C 44.497 0.000 1 61 318 9 LEU N N 125.637 0.000 1 62 319 10 TYR H H 7.862 0.000 1 63 319 10 TYR HA H 5.541 0.000 1 64 319 10 TYR HB2 H 2.269 0.000 1 65 319 10 TYR HB3 H 2.269 0.000 1 66 319 10 TYR HD1 H 6.712 0.000 1 67 319 10 TYR HD2 H 6.712 0.000 1 68 319 10 TYR HE1 H 6.695 0.000 1 69 319 10 TYR HE2 H 6.695 0.000 1 70 319 10 TYR C C 176.515 0.000 1 71 319 10 TYR CA C 55.718 0.000 1 72 319 10 TYR CB C 40.942 0.000 1 73 319 10 TYR CD2 C 133.085 0.000 1 74 319 10 TYR CE1 C 117.813 0.000 1 75 319 10 TYR N N 116.221 0.000 1 76 320 11 ARG H H 8.450 0.000 1 77 320 11 ARG HA H 4.666 0.000 1 78 320 11 ARG HG2 H 1.608 0.000 1 79 320 11 ARG HG3 H 1.608 0.000 1 80 320 11 ARG C C 177.285 0.000 1 81 320 11 ARG CA C 54.155 0.000 1 82 320 11 ARG CB C 33.378 0.000 1 83 320 11 ARG CG C 27.150 0.000 1 84 320 11 ARG N N 118.797 0.000 1 85 321 12 GLU H H 8.738 0.000 1 86 321 12 GLU HA H 5.641 0.000 1 87 321 12 GLU HB2 H 1.846 0.000 1 88 321 12 GLU HB3 H 1.847 0.000 1 89 321 12 GLU HG2 H 2.206 0.000 1 90 321 12 GLU HG3 H 2.015 0.000 1 91 321 12 GLU C C 174.795 0.000 1 92 321 12 GLU CA C 54.720 0.000 1 93 321 12 GLU CB C 32.699 0.000 1 94 321 12 GLU CG C 37.756 0.000 1 95 321 12 GLU N N 121.759 0.000 1 96 322 13 GLU H H 9.131 0.000 1 97 322 13 GLU C C 176.590 0.000 1 98 322 13 GLU CA C 54.807 0.000 1 99 322 13 GLU CB C 33.874 0.000 1 100 322 13 GLU CG C 36.180 0.000 1 101 322 13 GLU N N 123.637 0.000 1 102 323 14 THR H H 8.606 0.000 1 103 323 14 THR HA H 5.041 0.000 1 104 323 14 THR HB H 3.974 0.000 1 105 323 14 THR HG2 H 1.059 0.000 1 106 323 14 THR C C 176.500 0.000 1 107 323 14 THR CA C 62.084 0.000 1 108 323 14 THR CB C 69.722 0.000 1 109 323 14 THR CG2 C 21.801 0.000 1 110 323 14 THR N N 118.587 0.000 1 111 324 15 ILE H H 9.599 0.000 1 112 324 15 ILE HA H 4.382 0.000 1 113 324 15 ILE HB H 1.928 0.000 1 114 324 15 ILE HG12 H 1.455 0.000 1 115 324 15 ILE HG13 H 1.114 0.000 1 116 324 15 ILE HG2 H 0.868 0.000 1 117 324 15 ILE HD1 H 0.814 0.000 1 118 324 15 ILE C C 175.606 0.000 1 119 324 15 ILE CA C 60.612 0.000 1 120 324 15 ILE CB C 39.853 0.000 1 121 324 15 ILE CG1 C 27.238 0.000 1 122 324 15 ILE CG2 C 17.463 0.000 1 123 324 15 ILE CD1 C 12.994 0.000 1 124 324 15 ILE N N 129.186 0.000 1 125 325 16 GLU H H 8.995 0.000 1 126 325 16 GLU HA H 5.468 0.000 1 127 325 16 GLU HB2 H 1.930 0.000 1 128 325 16 GLU HB3 H 1.930 0.000 1 129 325 16 GLU HG2 H 2.193 0.000 1 130 325 16 GLU HG3 H 2.014 0.000 1 131 325 16 GLU C C 175.059 0.000 1 132 325 16 GLU CA C 54.676 0.000 1 133 325 16 GLU CB C 32.262 0.000 1 134 325 16 GLU CG C 37.148 0.000 1 135 325 16 GLU N N 129.782 0.000 1 136 326 17 THR H H 9.263 0.000 1 137 326 17 THR HA H 4.608 0.000 1 138 326 17 THR HB H 3.976 0.000 1 139 326 17 THR C C 177.337 0.000 1 140 326 17 THR CA C 61.059 0.000 1 141 326 17 THR CB C 71.458 0.000 1 142 326 17 THR N N 121.001 0.000 1 143 327 18 LYS H H 8.738 0.000 1 144 327 18 LYS C C 175.106 0.000 1 145 327 18 LYS CA C 56.396 0.000 1 146 327 18 LYS CB C 33.712 0.000 1 147 327 18 LYS CG C 24.561 0.000 1 148 327 18 LYS N N 125.090 0.000 1 149 328 19 ILE H H 7.511 0.000 1 150 328 19 ILE HA H 4.197 0.000 1 151 328 19 ILE HB H 1.135 0.000 1 152 328 19 ILE HG12 H 0.895 0.000 1 153 328 19 ILE HG13 H 1.310 0.000 1 154 328 19 ILE HG2 H 0.994 0.000 1 155 328 19 ILE HD1 H 0.790 0.000 1 156 328 19 ILE C C 175.903 0.000 1 157 328 19 ILE CA C 60.391 0.000 1 158 328 19 ILE CB C 40.921 0.000 1 159 328 19 ILE CG1 C 26.638 0.000 1 160 328 19 ILE CG2 C 17.241 0.000 1 161 328 19 ILE CD1 C 13.810 0.000 1 162 328 19 ILE N N 122.705 0.000 1 163 329 20 ASP H H 8.488 0.000 1 164 329 20 ASP HA H 4.406 0.000 1 165 329 20 ASP HB2 H 2.419 0.000 1 166 329 20 ASP HB3 H 2.271 0.000 1 167 329 20 ASP C C 175.205 0.000 1 168 329 20 ASP CA C 55.671 0.000 1 169 329 20 ASP CB C 41.421 0.000 1 170 329 20 ASP N N 126.631 0.000 1 171 330 21 PHE H H 7.080 0.000 1 172 330 21 PHE HA H 4.857 0.000 1 173 330 21 PHE HB2 H 3.441 0.000 1 174 330 21 PHE HB3 H 2.958 0.000 1 175 330 21 PHE HD1 H 6.975 0.000 1 176 330 21 PHE HD2 H 6.975 0.000 1 177 330 21 PHE HE1 H 7.235 0.000 1 178 330 21 PHE HE2 H 7.235 0.000 1 179 330 21 PHE C C 175.470 0.000 1 180 330 21 PHE CA C 54.410 0.000 1 181 330 21 PHE CB C 41.966 0.000 1 182 330 21 PHE CD2 C 132.920 0.000 1 183 330 21 PHE CE1 C 131.046 0.000 1 184 330 21 PHE N N 114.755 0.000 1 185 331 22 GLN H H 8.614 0.000 1 186 331 22 GLN HA H 4.601 0.000 1 187 331 22 GLN HB2 H 1.993 0.000 1 188 331 22 GLN HB3 H 2.216 0.000 1 189 331 22 GLN HG2 H 2.409 0.000 1 190 331 22 GLN HG3 H 2.408 0.000 1 191 331 22 GLN HE21 H 6.825 0.000 1 192 331 22 GLN HE22 H 7.595 0.000 1 193 331 22 GLN C C 176.828 0.000 1 194 331 22 GLN CA C 54.243 0.000 1 195 331 22 GLN CB C 30.922 0.000 1 196 331 22 GLN CG C 34.108 0.000 1 197 331 22 GLN N N 119.943 0.000 1 198 331 22 GLN NE2 N 112.945 0.000 1 199 332 23 GLU H H 8.506 0.000 1 200 332 23 GLU HA H 5.392 0.000 1 201 332 23 GLU HB2 H 2.054 0.000 1 202 332 23 GLU HB3 H 2.019 0.000 1 203 332 23 GLU HG2 H 2.077 0.000 1 204 332 23 GLU HG3 H 2.001 0.000 1 205 332 23 GLU C C 175.263 0.000 1 206 332 23 GLU CA C 55.107 0.000 1 207 332 23 GLU CB C 32.605 0.000 1 208 332 23 GLU CG C 38.104 0.000 1 209 332 23 GLU N N 120.468 0.000 1 210 333 24 GLU H H 9.401 0.000 1 211 333 24 GLU HA H 4.646 0.000 1 212 333 24 GLU HB2 H 1.988 0.000 1 213 333 24 GLU HB3 H 1.993 0.000 1 214 333 24 GLU HG2 H 2.081 0.000 1 215 333 24 GLU HG3 H 2.081 0.000 1 216 333 24 GLU C C 176.628 0.000 1 217 333 24 GLU CA C 54.954 0.000 1 218 333 24 GLU CB C 32.749 0.000 1 219 333 24 GLU CG C 35.929 0.000 1 220 333 24 GLU N N 128.052 0.000 1 221 334 25 ILE H H 8.593 0.000 1 222 334 25 ILE HA H 4.957 0.000 1 223 334 25 ILE HB H 1.798 0.000 1 224 334 25 ILE HG12 H 1.106 0.000 1 225 334 25 ILE HG13 H 1.494 0.000 1 226 334 25 ILE HG2 H 0.794 0.000 1 227 334 25 ILE HD1 H 0.787 0.000 1 228 334 25 ILE C C 174.359 0.000 1 229 334 25 ILE CA C 59.596 0.000 1 230 334 25 ILE CB C 38.960 0.000 1 231 334 25 ILE CG1 C 27.697 0.000 1 232 334 25 ILE CG2 C 17.753 0.000 1 233 334 25 ILE CD1 C 12.640 0.000 1 234 334 25 ILE N N 123.717 0.000 1 235 335 26 GLN H H 9.243 0.000 1 236 335 26 GLN HA H 4.708 0.000 1 237 335 26 GLN HB2 H 2.000 0.000 1 238 335 26 GLN HB3 H 1.816 0.000 1 239 335 26 GLN HG2 H 2.353 0.000 1 240 335 26 GLN HG3 H 2.227 0.000 1 241 335 26 GLN HE21 H 6.778 0.000 1 242 335 26 GLN HE22 H 7.678 0.000 1 243 335 26 GLN C C 175.758 0.000 1 244 335 26 GLN CA C 53.765 0.000 1 245 335 26 GLN CB C 30.774 0.000 1 246 335 26 GLN CG C 33.314 0.000 1 247 335 26 GLN N N 127.901 0.000 1 248 335 26 GLN NE2 N 110.748 0.000 1 249 336 27 GLU H H 8.858 0.000 1 250 336 27 GLU HA H 4.848 0.000 1 251 336 27 GLU HB2 H 1.964 0.000 1 252 336 27 GLU HB3 H 1.949 0.000 1 253 336 27 GLU HG2 H 2.388 0.000 1 254 336 27 GLU HG3 H 2.388 0.000 1 255 336 27 GLU C C 174.122 0.000 1 256 336 27 GLU CA C 56.397 0.000 1 257 336 27 GLU CB C 30.672 0.000 1 258 336 27 GLU CG C 37.149 0.000 1 259 336 27 GLU N N 123.551 0.000 1 260 337 28 ASN H H 8.689 0.000 1 261 337 28 ASN HA H 5.333 0.000 1 262 337 28 ASN HB2 H 2.808 0.000 1 263 337 28 ASN HB3 H 2.489 0.000 1 264 337 28 ASN HD21 H 7.184 0.000 1 265 337 28 ASN HD22 H 7.872 0.000 1 266 337 28 ASN C C 176.449 0.000 1 267 337 28 ASN CA C 49.290 0.000 1 268 337 28 ASN CB C 40.464 0.000 1 269 337 28 ASN N N 120.342 0.000 1 270 337 28 ASN ND2 N 112.311 0.000 1 271 338 29 PRO HA H 4.878 0.000 1 272 338 29 PRO HB2 H 2.149 0.000 1 273 338 29 PRO HB3 H 1.667 0.000 1 274 338 29 PRO HG2 H 1.882 0.000 1 275 338 29 PRO HG3 H 2.001 0.000 1 276 338 29 PRO HD2 H 3.662 0.000 1 277 338 29 PRO HD3 H 3.956 0.000 1 278 338 29 PRO C C 174.825 0.000 1 279 338 29 PRO CA C 63.423 0.000 1 280 338 29 PRO CB C 32.098 0.000 1 281 338 29 PRO CG C 26.367 0.000 1 282 338 29 PRO CD C 51.290 0.000 1 283 339 30 ASP H H 8.391 0.000 1 284 339 30 ASP HA H 4.827 0.000 1 285 339 30 ASP HB2 H 2.767 0.000 1 286 339 30 ASP HB3 H 2.529 0.000 1 287 339 30 ASP C C 175.574 0.000 1 288 339 30 ASP CA C 54.479 0.000 1 289 339 30 ASP CB C 41.729 0.000 1 290 339 30 ASP N N 117.665 0.000 1 291 340 31 LEU H H 7.375 0.000 1 292 340 31 LEU HA H 4.568 0.000 1 293 340 31 LEU HB2 H 1.402 0.000 1 294 340 31 LEU HB3 H 1.601 0.000 1 295 340 31 LEU HG H 1.459 0.000 1 296 340 31 LEU HD1 H 0.728 0.000 1 297 340 31 LEU HD2 H 0.798 0.000 1 298 340 31 LEU C C 176.355 0.000 1 299 340 31 LEU CA C 52.795 0.000 1 300 340 31 LEU CB C 44.684 0.000 1 301 340 31 LEU CG C 24.012 0.000 1 302 340 31 LEU CD1 C 23.718 0.000 1 303 340 31 LEU CD2 C 24.196 0.000 1 304 340 31 LEU N N 122.425 0.000 1 305 341 32 ALA H H 8.463 0.000 1 306 341 32 ALA HA H 4.182 0.000 1 307 341 32 ALA HB H 1.364 0.000 1 308 341 32 ALA C C 172.834 0.000 1 309 341 32 ALA CA C 53.114 0.000 1 310 341 32 ALA CB C 19.272 0.000 1 311 341 32 ALA N N 125.680 0.000 1 312 342 33 GLU H H 8.769 0.000 1 313 342 33 GLU HA H 3.845 0.000 1 314 342 33 GLU HB2 H 1.794 0.000 1 315 342 33 GLU HB3 H 1.777 0.000 1 316 342 33 GLU HG2 H 2.150 0.000 1 317 342 33 GLU HG3 H 2.145 0.000 1 318 342 33 GLU C C 174.006 0.000 1 319 342 33 GLU CA C 57.600 0.000 1 320 342 33 GLU CB C 29.463 0.000 1 321 342 33 GLU CG C 35.926 0.000 1 322 342 33 GLU N N 124.255 0.000 1 323 343 34 GLY H H 8.562 0.000 1 324 343 34 GLY HA2 H 4.410 0.000 1 325 343 34 GLY HA3 H 3.625 0.000 1 326 343 34 GLY C C 176.456 0.000 1 327 343 34 GLY CA C 44.957 0.000 1 328 343 34 GLY N N 115.057 0.000 1 329 344 35 THR H H 8.101 0.000 1 330 344 35 THR HA H 4.428 0.000 1 331 344 35 THR HB H 4.154 0.000 1 332 344 35 THR HG1 H 5.738 0.000 1 333 344 35 THR HG2 H 1.205 0.000 1 334 344 35 THR C C 177.291 0.000 1 335 344 35 THR CA C 63.278 0.000 1 336 344 35 THR CB C 69.593 0.000 1 337 344 35 THR CG2 C 21.886 0.000 1 338 344 35 THR N N 117.077 0.000 1 339 345 36 VAL H H 8.573 0.000 1 340 345 36 VAL HA H 5.137 0.000 1 341 345 36 VAL HB H 1.936 0.000 1 342 345 36 VAL HG1 H 0.856 0.000 1 343 345 36 VAL HG2 H 0.856 0.000 1 344 345 36 VAL C C 175.519 0.000 1 345 345 36 VAL CA C 60.850 0.000 1 346 345 36 VAL CB C 34.945 0.000 1 347 345 36 VAL CG1 C 20.951 0.000 1 348 345 36 VAL CG2 C 20.951 0.000 1 349 345 36 VAL N N 125.638 0.000 1 350 346 37 ARG H H 9.036 0.000 1 351 346 37 ARG HA H 4.772 0.000 1 352 346 37 ARG HB2 H 1.806 0.000 1 353 346 37 ARG HB3 H 1.806 0.000 1 354 346 37 ARG C C 176.650 0.000 1 355 346 37 ARG CA C 54.457 0.000 1 356 346 37 ARG CB C 33.877 0.000 1 357 346 37 ARG CG C 26.617 0.000 1 358 346 37 ARG CD C 43.815 0.000 1 359 346 37 ARG N N 124.664 0.000 1 360 347 38 VAL H H 9.055 0.000 1 361 347 38 VAL HA H 4.018 0.000 1 362 347 38 VAL HB H 2.027 0.000 1 363 347 38 VAL HG1 H 0.955 0.000 1 364 347 38 VAL HG2 H 0.700 0.000 1 365 347 38 VAL C C 175.203 0.000 1 366 347 38 VAL CA C 63.874 0.000 1 367 347 38 VAL CB C 31.405 0.000 1 368 347 38 VAL CG1 C 21.849 0.000 1 369 347 38 VAL CG2 C 20.964 0.000 1 370 347 38 VAL N N 125.598 0.000 1 371 348 39 LYS H H 8.889 0.000 1 372 348 39 LYS HA H 4.264 0.000 1 373 348 39 LYS HB2 H 1.603 0.000 1 374 348 39 LYS HB3 H 1.605 0.000 1 375 348 39 LYS C C 174.519 0.000 1 376 348 39 LYS CA C 57.406 0.000 1 377 348 39 LYS CB C 33.559 0.000 1 378 348 39 LYS CG C 24.752 0.000 1 379 348 39 LYS CD C 28.911 0.000 1 380 348 39 LYS N N 131.175 0.000 1 381 349 40 GLN H H 7.768 0.000 1 382 349 40 GLN HA H 4.500 0.000 1 383 349 40 GLN HB2 H 1.919 0.000 1 384 349 40 GLN HB3 H 1.919 0.000 1 385 349 40 GLN HE21 H 7.101 0.000 1 386 349 40 GLN HE22 H 8.197 0.000 1 387 349 40 GLN C C 176.959 0.000 1 388 349 40 GLN CA C 55.143 0.000 1 389 349 40 GLN CB C 33.092 0.000 1 390 349 40 GLN N N 116.969 0.000 1 391 349 40 GLN NE2 N 113.929 0.000 1 392 351 42 GLY C C 177.100 0.000 1 393 351 42 GLY CA C 43.369 0.000 1 394 352 43 LYS H H 8.450 0.000 1 395 352 43 LYS C C 174.933 0.000 1 396 352 43 LYS CA C 55.100 0.000 1 397 352 43 LYS CB C 36.261 0.000 1 398 352 43 LYS CG C 24.525 0.000 1 399 352 43 LYS N N 120.861 0.000 1 400 353 44 LEU H H 8.764 0.000 1 401 353 44 LEU HA H 4.536 0.000 1 402 353 44 LEU HB2 H 1.772 0.000 1 403 353 44 LEU HB3 H 1.827 0.000 1 404 353 44 LEU HG H 2.043 0.000 1 405 353 44 LEU HD1 H 1.060 0.000 1 406 353 44 LEU HD2 H 1.079 0.000 1 407 353 44 LEU C C 171.472 0.000 1 408 353 44 LEU CA C 56.454 0.000 1 409 353 44 LEU CB C 43.340 0.000 1 410 353 44 LEU CG C 27.691 0.000 1 411 353 44 LEU CD1 C 26.221 0.000 1 412 353 44 LEU CD2 C 24.824 0.000 1 413 353 44 LEU N N 124.512 0.000 1 414 354 45 GLY H H 9.233 0.000 1 415 354 45 GLY HA2 H 4.343 0.000 1 416 354 45 GLY HA3 H 3.526 0.000 1 417 354 45 GLY C C 177.037 0.000 1 418 354 45 GLY CA C 43.482 0.000 1 419 354 45 GLY N N 108.681 0.000 1 420 355 46 LYS H H 9.006 0.000 1 421 355 46 LYS HA H 5.122 0.000 1 422 355 46 LYS HB2 H 1.784 0.000 1 423 355 46 LYS HB3 H 1.568 0.000 1 424 355 46 LYS HG2 H 1.267 0.000 1 425 355 46 LYS HG3 H 1.246 0.000 1 426 355 46 LYS HD2 H 1.515 0.000 1 427 355 46 LYS HD3 H 1.653 0.000 1 428 355 46 LYS HE2 H 2.823 0.000 1 429 355 46 LYS HE3 H 2.823 0.000 1 430 355 46 LYS C C 177.641 0.000 1 431 355 46 LYS CA C 56.187 0.000 1 432 355 46 LYS CB C 36.024 0.000 1 433 355 46 LYS CG C 24.140 0.000 1 434 355 46 LYS CD C 29.468 0.000 1 435 355 46 LYS CE C 41.804 0.000 1 436 355 46 LYS N N 119.479 0.000 1 437 356 47 LYS H H 9.267 0.000 1 438 356 47 LYS C C 176.341 0.000 1 439 356 47 LYS CA C 54.962 0.000 1 440 356 47 LYS CB C 34.765 0.000 1 441 356 47 LYS CG C 25.099 0.000 1 442 356 47 LYS CD C 29.162 0.000 1 443 356 47 LYS N N 127.183 0.000 1 444 357 48 VAL H H 9.095 0.000 1 445 357 48 VAL HA H 4.794 0.000 1 446 357 48 VAL HB H 1.960 0.000 1 447 357 48 VAL C C 175.073 0.000 1 448 357 48 VAL CA C 61.807 0.000 1 449 357 48 VAL CB C 33.843 0.000 1 450 357 48 VAL CG1 C 21.415 0.000 1 451 357 48 VAL N N 126.822 0.000 1 452 358 49 GLU H H 9.184 0.000 1 453 358 49 GLU HA H 5.216 0.000 1 454 358 49 GLU HB2 H 1.990 0.000 1 455 358 49 GLU HB3 H 1.922 0.000 1 456 358 49 GLU HG2 H 2.238 0.000 1 457 358 49 GLU HG3 H 2.149 0.000 1 458 358 49 GLU C C 176.566 0.000 1 459 358 49 GLU CA C 54.457 0.000 1 460 358 49 GLU CB C 33.898 0.000 1 461 358 49 GLU CG C 37.580 0.000 1 462 358 49 GLU N N 128.817 0.000 1 463 359 50 ILE H H 8.526 0.000 1 464 359 50 ILE HA H 4.843 0.000 1 465 359 50 ILE HB H 1.746 0.000 1 466 359 50 ILE HG12 H 1.195 0.000 1 467 359 50 ILE HG13 H 1.456 0.000 1 468 359 50 ILE HG2 H 0.727 0.000 1 469 359 50 ILE HD1 H 0.758 0.000 1 470 359 50 ILE C C 175.622 0.000 1 471 359 50 ILE CA C 60.766 0.000 1 472 359 50 ILE CB C 37.901 0.000 1 473 359 50 ILE CG1 C 27.184 0.000 1 474 359 50 ILE CG2 C 16.817 0.000 1 475 359 50 ILE CD1 C 12.468 0.000 1 476 359 50 ILE N N 123.627 0.000 1 477 360 51 VAL H H 9.228 0.000 1 478 360 51 VAL C C 176.938 0.000 1 479 360 51 VAL CA C 59.913 0.000 1 480 360 51 VAL CB C 34.928 0.000 1 481 360 51 VAL N N 126.949 0.000 1 482 361 52 ARG H H 9.360 0.000 1 483 361 52 ARG HA H 4.992 0.000 1 484 361 52 ARG HB2 H 1.522 0.000 1 485 361 52 ARG HB3 H 1.524 0.000 1 486 361 52 ARG HG2 H 1.006 0.000 1 487 361 52 ARG HG3 H 1.232 0.000 1 488 361 52 ARG HD2 H 2.777 0.000 1 489 361 52 ARG HD3 H 2.162 0.000 1 490 361 52 ARG C C 176.241 0.000 1 491 361 52 ARG CA C 55.117 0.000 1 492 361 52 ARG CB C 32.620 0.000 1 493 361 52 ARG CG C 27.941 0.000 1 494 361 52 ARG CD C 43.280 0.000 1 495 361 52 ARG N N 126.243 0.000 1 496 362 53 ILE H H 9.147 0.000 1 497 362 53 ILE HA H 4.586 0.000 1 498 362 53 ILE HB H 1.579 0.000 1 499 362 53 ILE HD1 H 0.738 0.000 1 500 362 53 ILE C C 174.937 0.000 1 501 362 53 ILE CA C 61.281 0.000 1 502 362 53 ILE CB C 40.637 0.000 1 503 362 53 ILE CG1 C 28.456 0.000 1 504 362 53 ILE CG2 C 18.020 0.000 1 505 362 53 ILE CD1 C 14.641 0.000 1 506 362 53 ILE N N 127.034 0.000 1 507 363 54 PHE H H 9.197 0.000 1 508 363 54 PHE HA H 5.330 0.000 1 509 363 54 PHE HB2 H 3.108 0.000 1 510 363 54 PHE HB3 H 2.983 0.000 1 511 363 54 PHE HD1 H 7.023 0.000 1 512 363 54 PHE HD2 H 7.023 0.000 1 513 363 54 PHE HE1 H 7.105 0.000 1 514 363 54 PHE HE2 H 7.105 0.000 1 515 363 54 PHE HZ H 7.058 0.000 1 516 363 54 PHE C C 175.292 0.000 1 517 363 54 PHE CA C 56.871 0.000 1 518 363 54 PHE CB C 40.708 0.000 1 519 363 54 PHE CD2 C 132.180 0.000 1 520 363 54 PHE CE1 C 130.920 0.000 1 521 363 54 PHE CZ C 129.375 0.000 1 522 363 54 PHE N N 129.550 0.000 1 523 364 55 SER H H 9.132 0.000 1 524 364 55 SER HA H 5.359 0.000 1 525 364 55 SER HB2 H 3.431 0.000 1 526 364 55 SER HB3 H 3.431 0.000 1 527 364 55 SER C C 178.807 0.000 1 528 364 55 SER CA C 57.339 0.000 1 529 364 55 SER CB C 66.630 0.000 1 530 364 55 SER N N 118.606 0.000 1 531 365 56 VAL H H 8.440 0.000 1 532 365 56 VAL C C 174.022 0.000 1 533 365 56 VAL CA C 61.539 0.000 1 534 365 56 VAL CB C 34.153 0.000 1 535 365 56 VAL CG1 C 21.640 0.000 1 536 365 56 VAL N N 120.989 0.000 1 537 366 57 ASN H H 9.586 0.000 1 538 366 57 ASN HA H 4.374 0.000 1 539 366 57 ASN HB2 H 3.080 0.000 1 540 366 57 ASN HB3 H 2.839 0.000 1 541 366 57 ASN HD21 H 7.731 0.000 1 542 366 57 ASN HD22 H 6.907 0.000 1 543 366 57 ASN C C 176.472 0.000 1 544 366 57 ASN CA C 54.703 0.000 1 545 366 57 ASN CB C 37.211 0.000 1 546 366 57 ASN N N 127.326 0.000 1 547 366 57 ASN ND2 N 113.205 0.000 1 548 367 58 LYS H H 8.656 0.000 1 549 367 58 LYS HA H 3.810 0.000 1 550 367 58 LYS HB2 H 2.110 0.000 1 551 367 58 LYS HB3 H 2.016 0.000 1 552 367 58 LYS HG2 H 1.362 0.000 1 553 367 58 LYS HG3 H 1.362 0.000 1 554 367 58 LYS HE2 H 2.987 0.000 1 555 367 58 LYS HE3 H 2.987 0.000 1 556 367 58 LYS C C 175.371 0.000 1 557 367 58 LYS CA C 58.060 0.000 1 558 367 58 LYS CB C 30.562 0.000 1 559 367 58 LYS CG C 25.243 0.000 1 560 367 58 LYS CD C 28.969 0.000 1 561 367 58 LYS N N 110.368 0.000 1 562 368 59 GLU H H 7.861 0.000 1 563 368 59 GLU HA H 4.538 0.000 1 564 368 59 GLU HB2 H 2.017 0.000 1 565 368 59 GLU HB3 H 1.994 0.000 1 566 368 59 GLU HG2 H 2.263 0.000 1 567 368 59 GLU HG3 H 2.170 0.000 1 568 368 59 GLU C C 175.658 0.000 1 569 368 59 GLU CA C 55.135 0.000 1 570 368 59 GLU CB C 31.323 0.000 1 571 368 59 GLU CG C 35.856 0.000 1 572 368 59 GLU N N 120.867 0.000 1 573 369 60 GLU H H 8.668 0.000 1 574 369 60 GLU HA H 4.335 0.000 1 575 369 60 GLU HG2 H 2.322 0.000 1 576 369 60 GLU HG3 H 1.974 0.000 1 577 369 60 GLU C C 173.814 0.000 1 578 369 60 GLU CA C 57.451 0.000 1 579 369 60 GLU CB C 29.852 0.000 1 580 369 60 GLU CG C 36.772 0.000 1 581 369 60 GLU N N 125.752 0.000 1 582 370 61 VAL H H 9.319 0.000 1 583 370 61 VAL HA H 4.454 0.000 1 584 370 61 VAL HB H 2.057 0.000 1 585 370 61 VAL HG1 H 0.866 0.000 1 586 370 61 VAL HG2 H 0.974 0.000 1 587 370 61 VAL C C 175.041 0.000 1 588 370 61 VAL CA C 62.496 0.000 1 589 370 61 VAL CB C 33.934 0.000 1 590 370 61 VAL CG1 C 20.250 0.000 1 591 370 61 VAL CG2 C 21.521 0.000 1 592 370 61 VAL N N 122.890 0.000 1 593 371 62 SER H H 7.934 0.000 1 594 371 62 SER HA H 4.763 0.000 1 595 371 62 SER HB2 H 3.893 0.000 1 596 371 62 SER HB3 H 3.936 0.000 1 597 371 62 SER C C 178.951 0.000 1 598 371 62 SER CA C 58.397 0.000 1 599 371 62 SER CB C 64.704 0.000 1 600 371 62 SER N N 113.998 0.000 1 601 372 63 ARG H H 8.388 0.000 1 602 372 63 ARG HA H 5.546 0.000 1 603 372 63 ARG HB2 H 1.847 0.000 1 604 372 63 ARG HB3 H 1.545 0.000 1 605 372 63 ARG HD2 H 2.971 0.000 1 606 372 63 ARG HD3 H 3.190 0.000 1 607 372 63 ARG C C 175.973 0.000 1 608 372 63 ARG CA C 55.246 0.000 1 609 372 63 ARG CB C 34.224 0.000 1 610 372 63 ARG CG C 26.442 0.000 1 611 372 63 ARG CD C 43.894 0.000 1 612 372 63 ARG N N 118.378 0.000 1 613 373 64 GLU H H 9.049 0.000 1 614 373 64 GLU HA H 4.756 0.000 1 615 373 64 GLU HB2 H 2.026 0.000 1 616 373 64 GLU HB3 H 2.026 0.000 1 617 373 64 GLU C C 176.370 0.000 1 618 373 64 GLU CA C 54.536 0.000 1 619 373 64 GLU CB C 33.834 0.000 1 620 373 64 GLU CG C 35.637 0.000 1 621 373 64 GLU N N 121.670 0.000 1 622 374 65 ILE H H 8.947 0.000 1 623 374 65 ILE HA H 4.363 0.000 1 624 374 65 ILE HB H 1.866 0.000 1 625 374 65 ILE HG12 H 1.123 0.000 1 626 374 65 ILE HG13 H 1.568 0.000 1 627 374 65 ILE HG2 H 0.829 0.000 1 628 374 65 ILE HD1 H 0.820 0.000 1 629 374 65 ILE C C 174.032 0.000 1 630 374 65 ILE CA C 61.548 0.000 1 631 374 65 ILE CB C 37.338 0.000 1 632 374 65 ILE CG1 C 27.997 0.000 1 633 374 65 ILE CG2 C 17.923 0.000 1 634 374 65 ILE CD1 C 12.794 0.000 1 635 374 65 ILE N N 125.491 0.000 1 636 375 66 VAL H H 9.226 0.000 1 637 375 66 VAL HA H 4.128 0.000 1 638 375 66 VAL HB H 2.013 0.000 1 639 375 66 VAL HG1 H 0.815 0.000 1 640 375 66 VAL HG2 H 0.817 0.000 1 641 375 66 VAL C C 174.576 0.000 1 642 375 66 VAL CA C 63.431 0.000 1 643 375 66 VAL CB C 32.746 0.000 1 644 375 66 VAL CG1 C 20.634 0.000 1 645 375 66 VAL CG2 C 20.634 0.000 1 646 375 66 VAL N N 127.195 0.000 1 647 376 67 SER H H 7.497 0.000 1 648 376 67 SER HA H 4.634 0.000 1 649 376 67 SER HB2 H 3.857 0.000 1 650 376 67 SER HB3 H 3.688 0.000 1 651 376 67 SER C C 178.701 0.000 1 652 376 67 SER CA C 57.989 0.000 1 653 376 67 SER CB C 64.760 0.000 1 654 376 67 SER N N 112.703 0.000 1 655 377 68 THR H H 8.375 0.000 1 656 377 68 THR HA H 5.206 0.000 1 657 377 68 THR HB H 3.937 0.000 1 658 377 68 THR C C 177.888 0.000 1 659 377 68 THR CA C 61.514 0.000 1 660 377 68 THR CB C 70.944 0.000 1 661 377 68 THR CG2 C 21.096 0.000 1 662 377 68 THR N N 118.381 0.000 1 663 378 69 SER H H 8.837 0.000 1 664 378 69 SER HA H 4.842 0.000 1 665 378 69 SER HB2 H 3.781 0.000 1 666 378 69 SER HB3 H 3.781 0.000 1 667 378 69 SER C C 177.369 0.000 1 668 378 69 SER CA C 57.360 0.000 1 669 378 69 SER CB C 65.183 0.000 1 670 378 69 SER N N 121.451 0.000 1 671 379 70 THR H H 8.858 0.000 1 672 379 70 THR HA H 5.188 0.000 1 673 379 70 THR HB H 3.936 0.000 1 674 379 70 THR HG2 H 1.165 0.000 1 675 379 70 THR C C 176.828 0.000 1 676 379 70 THR CA C 61.839 0.000 1 677 379 70 THR CB C 71.263 0.000 1 678 379 70 THR CG2 C 21.388 0.000 1 679 379 70 THR N N 121.474 0.000 1 680 380 71 THR H H 9.295 0.000 1 681 380 71 THR HA H 4.429 0.000 1 682 380 71 THR HB H 4.057 0.000 1 683 380 71 THR HG2 H 1.292 0.000 1 684 380 71 THR C C 177.876 0.000 1 685 380 71 THR CA C 61.596 0.000 1 686 380 71 THR CB C 70.247 0.000 1 687 380 71 THR CG2 C 21.277 0.000 1 688 380 71 THR N N 124.865 0.000 1 689 381 72 ALA H H 8.734 0.000 1 690 381 72 ALA HA H 4.428 0.000 1 691 381 72 ALA HB H 1.435 0.000 1 692 381 72 ALA C C 174.831 0.000 1 693 381 72 ALA CA C 51.186 0.000 1 694 381 72 ALA CB C 17.600 0.000 1 695 381 72 ALA N N 129.642 0.000 1 696 382 73 PRO HA H 4.475 0.000 1 697 382 73 PRO HB2 H 2.336 0.000 1 698 382 73 PRO HB3 H 2.336 0.000 1 699 382 73 PRO HG2 H 1.945 0.000 1 700 382 73 PRO HG3 H 2.075 0.000 1 701 382 73 PRO HD2 H 3.807 0.000 1 702 382 73 PRO HD3 H 3.548 0.000 1 703 382 73 PRO CA C 62.387 0.000 1 704 382 73 PRO CB C 33.517 0.000 1 705 382 73 PRO CG C 26.992 0.000 1 706 382 73 PRO CD C 50.589 0.000 1 707 383 74 SER H H 8.901 0.000 1 708 383 74 SER HA H 5.085 0.000 1 709 383 74 SER HB2 H 3.636 0.000 1 710 383 74 SER HB3 H 3.752 0.000 1 711 383 74 SER CA C 54.913 0.000 1 712 383 74 SER CB C 64.310 0.000 1 713 383 74 SER N N 116.942 0.000 1 714 385 76 ARG CA C 54.730 0.000 1 715 385 76 ARG CB C 32.612 0.000 1 716 385 76 ARG CG C 25.273 0.000 1 717 386 77 ILE H H 8.888 0.000 1 718 386 77 ILE HA H 4.995 0.000 1 719 386 77 ILE HB H 1.502 0.000 1 720 386 77 ILE HG12 H 0.944 0.000 1 721 386 77 ILE HG13 H 1.436 0.000 1 722 386 77 ILE HG2 H 0.715 0.000 1 723 386 77 ILE HD1 H 0.697 0.000 1 724 386 77 ILE C C 175.606 0.000 1 725 386 77 ILE CA C 60.392 0.000 1 726 386 77 ILE CB C 39.775 0.000 1 727 386 77 ILE CG1 C 26.466 0.000 1 728 386 77 ILE CG2 C 17.128 0.000 1 729 386 77 ILE CD1 C 13.075 0.000 1 730 386 77 ILE N N 126.767 0.000 1 731 387 78 VAL H H 8.987 0.000 1 732 387 78 VAL HA H 4.579 0.000 1 733 387 78 VAL HB H 1.955 0.000 1 734 387 78 VAL C C 177.038 0.000 1 735 387 78 VAL CA C 60.607 0.000 1 736 387 78 VAL CB C 34.780 0.000 1 737 387 78 VAL CG1 C 21.351 0.000 1 738 387 78 VAL CG2 C 21.351 0.000 1 739 387 78 VAL N N 128.472 0.000 1 740 388 79 GLU H H 9.381 0.000 1 741 388 79 GLU HA H 5.399 0.000 1 742 388 79 GLU HB2 H 1.878 0.000 1 743 388 79 GLU HB3 H 1.878 0.000 1 744 388 79 GLU HG2 H 2.073 0.000 1 745 388 79 GLU HG3 H 2.138 0.000 1 746 388 79 GLU C C 176.424 0.000 1 747 388 79 GLU CA C 53.908 0.000 1 748 388 79 GLU CB C 33.199 0.000 1 749 388 79 GLU CG C 37.172 0.000 1 750 388 79 GLU N N 125.138 0.000 1 751 389 80 LYS H H 8.614 0.000 1 752 389 80 LYS HA H 5.146 0.000 1 753 389 80 LYS HB2 H 1.602 0.000 1 754 389 80 LYS HB3 H 1.648 0.000 1 755 389 80 LYS HG2 H 1.373 0.000 1 756 389 80 LYS HG3 H 1.278 0.000 1 757 389 80 LYS C C 174.592 0.000 1 758 389 80 LYS CA C 53.899 0.000 1 759 389 80 LYS CB C 35.867 0.000 1 760 389 80 LYS CG C 25.330 0.000 1 761 389 80 LYS CD C 29.657 0.000 1 762 389 80 LYS N N 123.283 0.000 1 763 390 81 GLY H H 8.845 0.000 1 764 390 81 GLY HA2 H 4.620 0.000 1 765 390 81 GLY HA3 H 3.495 0.000 1 766 390 81 GLY C C 175.359 0.000 1 767 390 81 GLY CA C 47.306 0.000 1 768 390 81 GLY N N 112.341 0.000 1 769 391 82 THR H H 7.754 0.000 1 770 391 82 THR HA H 4.661 0.000 1 771 391 82 THR HB H 4.550 0.000 1 772 391 82 THR HG2 H 1.045 0.000 1 773 391 82 THR C C 176.358 0.000 1 774 391 82 THR CA C 60.529 0.000 1 775 391 82 THR CB C 69.626 0.000 1 776 391 82 THR CG2 C 22.128 0.000 1 777 391 82 THR N N 112.324 0.000 1 778 392 83 LYS H H 8.721 0.000 1 779 392 83 LYS HA H 4.188 0.000 1 780 392 83 LYS HB2 H 1.408 0.000 1 781 392 83 LYS HB3 H 1.631 0.000 1 782 392 83 LYS HG2 H 1.460 0.000 1 783 392 83 LYS HG3 H 1.460 0.000 1 784 392 83 LYS C C 174.892 0.000 1 785 392 83 LYS CA C 58.459 0.000 1 786 392 83 LYS CB C 33.192 0.000 1 787 392 83 LYS CG C 24.732 0.000 1 788 392 83 LYS CD C 29.664 0.000 1 789 392 83 LYS N N 125.523 0.000 1 790 393 84 LYS H H 8.379 0.000 1 791 393 84 LYS HA H 4.193 0.000 1 792 393 84 LYS HB2 H 1.847 0.000 1 793 393 84 LYS HB3 H 1.693 0.000 1 794 393 84 LYS HG2 H 1.457 0.000 1 795 393 84 LYS HG3 H 1.457 0.000 1 796 393 84 LYS HE2 H 3.012 0.000 1 797 393 84 LYS HE3 H 2.984 0.000 1 798 393 84 LYS CA C 58.240 0.000 1 799 393 84 LYS CB C 33.629 0.000 1 800 393 84 LYS N N 134.884 0.000 1 stop_ save_