data_19380 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the RNA polymerase alpha subunit C-terminal domain from Helicobacter pylori ; _BMRB_accession_number 19380 _BMRB_flat_file_name bmr19380.str _Entry_type original _Submission_date 2013-07-21 _Accession_date 2013-07-21 _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 Borin Brendan N. . 2 Krezel Andrzej M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 626 "13C chemical shifts" 340 "15N chemical shifts" 112 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-02 update BMRB 'update entry citation' 2014-02-13 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Helicobacter pylori RNA polymerase -subunit C-terminal domain shows features unique to -proteobacteria and binds NikR/DNA complexes.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24442709 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Borin Brendan N. . 2 Tang Wei . . 3 Krezel Andrzej M. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_name_full 'Protein science : a publication of the Protein Society' _Journal_volume 23 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 454 _Page_last 463 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RNAP_alpha_subunit_CTD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA polymerase alpha subunit C-terminal domain' $RNAP_alpha_subunit_CTD 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_RNAP_alpha_subunit_CTD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RNAP_alpha_subunit_CTD _Molecular_mass 12754.470 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 126 _Mol_residue_sequence ; MRGSHHHHHHGSLGVFGERP IANTEYSGDYAQRDDAKDLS AKIESMNLSARCFNCLDKIG IKYVGELVLMSEEELKGVKN MGKKSYDEIAEKLNDLGYPV GTELSPEQRESLKKRLEKLE DKGGND ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 219 MET 2 220 ARG 3 221 GLY 4 222 SER 5 223 HIS 6 224 HIS 7 225 HIS 8 226 HIS 9 227 HIS 10 228 HIS 11 229 GLY 12 230 SER 13 231 LEU 14 232 GLY 15 233 VAL 16 234 PHE 17 235 GLY 18 236 GLU 19 237 ARG 20 238 PRO 21 239 ILE 22 240 ALA 23 241 ASN 24 242 THR 25 243 GLU 26 244 TYR 27 245 SER 28 246 GLY 29 247 ASP 30 248 TYR 31 249 ALA 32 250 GLN 33 251 ARG 34 252 ASP 35 253 ASP 36 254 ALA 37 255 LYS 38 256 ASP 39 257 LEU 40 258 SER 41 259 ALA 42 260 LYS 43 261 ILE 44 262 GLU 45 263 SER 46 264 MET 47 265 ASN 48 266 LEU 49 267 SER 50 268 ALA 51 269 ARG 52 270 CYS 53 271 PHE 54 272 ASN 55 273 CYS 56 274 LEU 57 275 ASP 58 276 LYS 59 277 ILE 60 278 GLY 61 279 ILE 62 280 LYS 63 281 TYR 64 282 VAL 65 283 GLY 66 284 GLU 67 285 LEU 68 286 VAL 69 287 LEU 70 288 MET 71 289 SER 72 290 GLU 73 291 GLU 74 292 GLU 75 293 LEU 76 294 LYS 77 295 GLY 78 296 VAL 79 297 LYS 80 298 ASN 81 299 MET 82 300 GLY 83 301 LYS 84 302 LYS 85 303 SER 86 304 TYR 87 305 ASP 88 306 GLU 89 307 ILE 90 308 ALA 91 309 GLU 92 310 LYS 93 311 LEU 94 312 ASN 95 313 ASP 96 314 LEU 97 315 GLY 98 316 TYR 99 317 PRO 100 318 VAL 101 319 GLY 102 320 THR 103 321 GLU 104 322 LEU 105 323 SER 106 324 PRO 107 325 GLU 108 326 GLN 109 327 ARG 110 328 GLU 111 329 SER 112 330 LEU 113 331 LYS 114 332 LYS 115 333 ARG 116 334 LEU 117 335 GLU 118 336 LYS 119 337 LEU 120 338 GLU 121 339 ASP 122 340 LYS 123 341 GLY 124 342 GLY 125 343 ASN 126 344 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-25 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 2MAX "Nmr Structure Of The Rna Polymerase Alpha Subunit C-terminal Domain From Helicobacter Pylori" 100.00 126 100.00 100.00 1.89e-85 DBJ BAJ55821 "DNA-directed RNA polymerase subunit alpha [Helicobacter pylori F16]" 90.48 344 97.37 99.12 3.45e-71 DBJ BAJ56204 "DNA-directed RNA polymerase subunit alpha [Helicobacter pylori F30]" 90.48 344 98.25 99.12 1.77e-71 DBJ BAJ58801 "DNA-directed RNA polymerase subunit alpha [Helicobacter pylori F32]" 90.48 344 98.25 100.00 1.15e-71 DBJ BAJ60323 "DNA-directed RNA polymerase subunit alpha [Helicobacter pylori F57]" 90.48 344 99.12 100.00 2.37e-72 DBJ BAM97153 "DNA-directed RNA polymerase subunit alpha [Helicobacter pylori OK113]" 90.48 344 99.12 100.00 2.45e-72 EMBL CAJ99012 "DNA-directed RNA polymerase alpha chain [Helicobacter acinonychis str. Sheeba]" 90.48 344 98.25 99.12 1.33e-70 EMBL CAX29978 "DNA-directed RNA polymerase alpha chain (RNAP alpha subunit) (Transcriptase alpha chain) (RNA polymerase alpha subunit) [Helico" 90.48 344 99.12 99.12 2.24e-71 EMBL CBI65743 "DNA-directed RNA polymerase subunit alpha [Helicobacter pylori B8]" 90.48 344 99.12 99.12 4.15e-71 GB AAD06815 "RNA POLYMERASE ALPHA SUBUNIT [Helicobacter pylori J99]" 90.48 344 100.00 100.00 7.01e-73 GB AAD08336 "DNA-directed RNA polymerase, alpha subunit (rpoA) [Helicobacter pylori 26695]" 90.48 344 100.00 100.00 5.52e-73 GB ABF85305 "DNA-directed RNA polymerase, alpha subunit [Helicobacter pylori HPAG1]" 90.48 344 100.00 100.00 7.39e-73 GB ACD48738 "DNA-directed RNA polymerase subunit alpha [Helicobacter pylori Shi470]" 90.48 344 99.12 100.00 2.32e-72 GB ACI27991 "DNA-directed RNA polymerase, alpha subunit [Helicobacter pylori G27]" 83.33 336 99.05 99.05 2.78e-64 REF NP_208085 "DNA-directed RNA polymerase subunit alpha [Helicobacter pylori 26695]" 90.48 344 100.00 100.00 5.52e-73 REF WP_000864476 "DNA-directed RNA polymerase subunit alpha [Helicobacter pylori]" 90.48 344 99.12 99.12 5.93e-71 REF WP_000864477 "DNA-directed RNA polymerase subunit alpha [Helicobacter pylori]" 90.48 344 98.25 98.25 1.58e-70 REF WP_000864478 "DNA-directed RNA polymerase subunit alpha [Helicobacter pylori]" 90.48 344 97.37 100.00 3.81e-71 REF WP_000864479 "DNA-directed RNA polymerase subunit alpha [Helicobacter pylori]" 90.48 344 100.00 100.00 7.01e-73 SP P56001 "RecName: Full=DNA-directed RNA polymerase subunit alpha; Short=RNAP subunit alpha; AltName: Full=RNA polymerase subunit alpha; " 90.48 344 100.00 100.00 5.52e-73 SP Q17ZB4 "RecName: Full=DNA-directed RNA polymerase subunit alpha; Short=RNAP subunit alpha; AltName: Full=RNA polymerase subunit alpha; " 90.48 344 98.25 99.12 1.33e-70 SP Q1CRW7 "RecName: Full=DNA-directed RNA polymerase subunit alpha; Short=RNAP subunit alpha; AltName: Full=RNA polymerase subunit alpha; " 90.48 344 100.00 100.00 7.39e-73 SP Q9ZJT5 "RecName: Full=DNA-directed RNA polymerase subunit alpha; Short=RNAP subunit alpha; AltName: Full=RNA polymerase subunit alpha; " 90.48 344 100.00 100.00 7.01e-73 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $RNAP_alpha_subunit_CTD e-proteobacteria 210 Bacteria . Helicobacter pylori J99 rpoA 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 $RNAP_alpha_subunit_CTD 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pETBNK stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '15N labeled' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNAP_alpha_subunit_CTD 1 mM [U-15N] 'potassium phosphate' 25 mM 'natural abundance' 'potassium chloride' 225 mM 'natural abundance' TCEP 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '15N,13C labeled' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNAP_alpha_subunit_CTD 1 mM '[U-13C; U-15N]' 'potassium phosphate' 25 mM 'natural abundance' 'potassium chloride' 225 mM 'natural abundance' TCEP 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'with cryoprobe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'with cryoprobe' 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_CBCANH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $sample_2 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_HCCH_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH TOCSY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.3 . pH pressure 1 . atm temperature 273 . 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 C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 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 CBCANH' '3D C(CO)NH' '3D H(CCO)NH' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA polymerase alpha subunit C-terminal domain' _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 1 231 13 LEU HA H 4.373 0.011 1 2 231 13 LEU HD1 H 0.862 0.000 1 3 231 13 LEU HD2 H 0.862 0.000 1 4 231 13 LEU CA C 55.528 0.000 1 5 231 13 LEU CB C 42.645 0.000 1 6 231 13 LEU CG C 27.095 0.000 1 7 231 13 LEU CD1 C 24.982 0.000 2 8 231 13 LEU CD2 C 23.577 0.000 2 9 232 14 GLY H H 8.313 0.002 1 10 232 14 GLY HA2 H 3.899 0.002 2 11 232 14 GLY HA3 H 3.899 0.002 2 12 232 14 GLY CA C 45.411 0.000 1 13 232 14 GLY N N 110.057 0.037 1 14 233 15 VAL H H 7.866 0.007 1 15 233 15 VAL HA H 4.029 0.004 1 16 233 15 VAL HB H 1.927 0.003 1 17 233 15 VAL HG1 H 0.755 0.004 1 18 233 15 VAL HG2 H 0.755 0.004 1 19 233 15 VAL CA C 62.498 0.000 1 20 233 15 VAL CB C 32.687 0.000 1 21 233 15 VAL CG1 C 21.003 0.000 2 22 233 15 VAL CG2 C 20.311 0.000 2 23 233 15 VAL N N 120.049 0.045 1 24 234 16 PHE H H 8.342 0.004 1 25 234 16 PHE HA H 4.617 0.000 1 26 234 16 PHE HB2 H 3.173 0.004 2 27 234 16 PHE HB3 H 2.988 0.008 2 28 234 16 PHE HD1 H 7.242 0.003 3 29 234 16 PHE HD2 H 7.242 0.003 3 30 234 16 PHE HE1 H 7.112 0.000 3 31 234 16 PHE HE2 H 7.112 0.000 3 32 234 16 PHE CA C 57.999 0.000 1 33 234 16 PHE CB C 39.537 0.000 1 34 234 16 PHE N N 124.212 0.054 1 35 235 17 GLY H H 8.189 0.001 1 36 235 17 GLY HA2 H 3.918 0.000 2 37 235 17 GLY HA3 H 3.832 0.000 2 38 235 17 GLY CA C 45.343 0.000 1 39 235 17 GLY N N 111.312 0.016 1 40 236 18 GLU H H 8.222 0.004 1 41 236 18 GLU HA H 4.284 0.000 1 42 236 18 GLU HB2 H 2.029 0.000 2 43 236 18 GLU HB3 H 1.917 0.000 2 44 236 18 GLU HG2 H 2.231 0.000 2 45 236 18 GLU HG3 H 2.231 0.000 2 46 236 18 GLU CA C 56.450 0.000 1 47 236 18 GLU CB C 30.569 0.000 1 48 236 18 GLU CG C 36.313 0.000 1 49 236 18 GLU N N 121.464 0.036 1 50 237 19 ARG H H 8.323 0.001 1 51 237 19 ARG N N 124.006 0.022 1 52 238 20 PRO CA C 63.221 0.000 1 53 238 20 PRO CB C 32.087 0.000 1 54 238 20 PRO CG C 27.808 0.000 1 55 238 20 PRO CD C 50.738 0.000 1 56 239 21 ILE H H 8.177 0.004 1 57 239 21 ILE HA H 4.101 0.004 1 58 239 21 ILE HB H 1.820 0.006 1 59 239 21 ILE HG12 H 1.484 0.005 2 60 239 21 ILE HG13 H 1.171 0.004 2 61 239 21 ILE HG2 H 0.899 0.002 1 62 239 21 ILE HD1 H 0.851 0.016 1 63 239 21 ILE CA C 61.230 0.000 1 64 239 21 ILE CB C 38.860 0.000 1 65 239 21 ILE CG1 C 27.428 0.000 1 66 239 21 ILE CG2 C 17.598 0.000 1 67 239 21 ILE CD1 C 13.204 0.092 1 68 239 21 ILE N N 122.235 0.046 1 69 240 22 ALA H H 8.328 0.003 1 70 240 22 ALA HB H 1.376 0.006 1 71 240 22 ALA CA C 52.460 0.000 1 72 240 22 ALA CB C 19.531 0.000 1 73 240 22 ALA N N 128.772 0.057 1 74 241 23 ASN H H 8.422 0.008 1 75 241 23 ASN CA C 53.467 0.000 1 76 241 23 ASN CB C 39.348 0.000 1 77 241 23 ASN N N 119.442 0.052 1 78 242 24 THR H H 8.082 0.001 1 79 242 24 THR HA H 4.307 0.009 1 80 242 24 THR HB H 4.199 0.000 1 81 242 24 THR HG2 H 1.151 0.000 1 82 242 24 THR CA C 62.174 0.000 1 83 242 24 THR CB C 69.932 0.000 1 84 242 24 THR CG2 C 21.607 0.000 1 85 242 24 THR N N 114.938 0.004 1 86 243 25 GLU H H 8.371 0.002 1 87 243 25 GLU HA H 4.258 0.000 1 88 243 25 GLU HB2 H 1.906 0.000 2 89 243 25 GLU HB3 H 1.906 0.000 2 90 243 25 GLU HG2 H 2.184 0.000 2 91 243 25 GLU HG3 H 2.184 0.000 2 92 243 25 GLU CA C 56.781 0.000 1 93 243 25 GLU CB C 30.249 0.000 1 94 243 25 GLU CG C 36.308 0.000 1 95 243 25 GLU N N 123.680 0.04 1 96 244 26 TYR H H 8.167 0.003 1 97 244 26 TYR HA H 4.244 0.000 1 98 244 26 TYR HB2 H 3.036 0.000 2 99 244 26 TYR HB3 H 2.943 0.000 2 100 244 26 TYR CA C 57.966 0.000 1 101 244 26 TYR CB C 38.905 0.000 1 102 244 26 TYR N N 122.144 0.043 1 103 245 27 SER H H 8.212 0.006 1 104 245 27 SER HA H 4.421 0.000 1 105 245 27 SER HB2 H 3.823 0.000 2 106 245 27 SER HB3 H 3.823 0.000 2 107 245 27 SER CA C 58.339 0.000 1 108 245 27 SER CB C 64.151 0.000 1 109 245 27 SER N N 119.209 0.079 1 110 246 28 GLY H H 7.773 0.007 1 111 246 28 GLY HA2 H 3.888 0.001 2 112 246 28 GLY CA C 45.462 0.000 1 113 246 28 GLY N N 111.084 0.008 1 114 247 29 ASP H H 8.164 0.003 1 115 247 29 ASP HA H 4.572 0.004 1 116 247 29 ASP HB2 H 2.609 0.008 2 117 247 29 ASP HB3 H 2.516 0.014 2 118 247 29 ASP CA C 54.485 0.000 1 119 247 29 ASP CB C 41.262 0.000 1 120 247 29 ASP N N 121.192 0.029 1 121 248 30 TYR H H 8.089 0.004 1 122 248 30 TYR HA H 4.457 0.006 1 123 248 30 TYR HB2 H 3.051 0.003 2 124 248 30 TYR HB3 H 2.961 0.001 2 125 248 30 TYR HD1 H 7.091 0.000 3 126 248 30 TYR HD2 H 7.091 0.000 3 127 248 30 TYR CA C 58.297 0.000 1 128 248 30 TYR CB C 38.680 0.000 1 129 248 30 TYR N N 121.775 0.032 1 130 249 31 ALA H H 8.070 0.003 1 131 249 31 ALA HA H 4.533 0.000 1 132 249 31 ALA HB H 1.330 0.002 1 133 249 31 ALA CA C 52.742 0.000 1 134 249 31 ALA CB C 19.157 0.000 1 135 249 31 ALA N N 125.380 0.026 1 136 250 32 GLN H H 8.104 0.001 1 137 250 32 GLN HA H 4.212 0.000 1 138 250 32 GLN HB2 H 1.966 0.000 2 139 250 32 GLN HB3 H 1.966 0.000 2 140 250 32 GLN CA C 56.009 0.000 1 141 250 32 GLN CB C 29.327 0.000 1 142 250 32 GLN CG C 33.980 0.000 1 143 250 32 GLN N N 119.783 0.024 1 144 251 33 ARG H H 8.201 0.003 1 145 251 33 ARG HA H 4.286 0.000 1 146 251 33 ARG HB2 H 1.859 0.000 2 147 251 33 ARG HB3 H 1.757 0.000 2 148 251 33 ARG HG2 H 1.597 0.000 2 149 251 33 ARG HG3 H 1.597 0.000 2 150 251 33 ARG N N 123.242 0.031 1 151 252 34 ASP HA H 4.639 0.007 1 152 252 34 ASP HB2 H 2.632 0.000 2 153 252 34 ASP HB3 H 2.632 0.000 2 154 252 34 ASP CA C 54.426 0.000 1 155 252 34 ASP CB C 41.970 0.000 1 156 253 35 ASP H H 8.357 0.004 1 157 253 35 ASP HA H 4.550 0.001 1 158 253 35 ASP HB2 H 2.707 0.003 2 159 253 35 ASP HB3 H 2.707 0.003 2 160 253 35 ASP CA C 54.992 0.000 1 161 253 35 ASP CB C 41.071 0.000 1 162 253 35 ASP N N 122.466 0.058 1 163 254 36 ALA H H 8.163 0.002 1 164 254 36 ALA HA H 4.255 0.000 1 165 254 36 ALA HB H 1.384 0.001 1 166 254 36 ALA CA C 53.297 0.000 1 167 254 36 ALA CB C 18.729 0.000 1 168 254 36 ALA N N 123.795 0.032 1 169 255 37 LYS H H 8.066 0.001 1 170 255 37 LYS HA H 4.162 0.005 1 171 255 37 LYS HB2 H 1.850 0.000 2 172 255 37 LYS HB3 H 1.850 0.000 2 173 255 37 LYS HG2 H 1.435 0.000 2 174 255 37 LYS HG3 H 1.435 0.000 2 175 255 37 LYS HD2 H 1.733 0.000 2 176 255 37 LYS HD3 H 1.733 0.000 2 177 255 37 LYS HE2 H 3.019 0.000 2 178 255 37 LYS HE3 H 3.019 0.000 2 179 255 37 LYS CA C 57.764 0.000 1 180 255 37 LYS CB C 32.685 0.000 1 181 255 37 LYS CG C 24.941 0.000 1 182 255 37 LYS CD C 28.839 0.000 1 183 255 37 LYS CE C 42.315 0.000 1 184 255 37 LYS N N 120.633 0.009 1 185 256 38 ASP H H 8.256 0.005 1 186 256 38 ASP HA H 4.534 0.003 1 187 256 38 ASP HB2 H 2.749 0.006 2 188 256 38 ASP HB3 H 2.749 0.006 2 189 256 38 ASP CA C 55.790 0.000 1 190 256 38 ASP N N 120.534 0.086 1 191 257 39 LEU H H 8.090 0.007 1 192 257 39 LEU HA H 4.031 0.000 1 193 257 39 LEU HB2 H 1.230 0.007 2 194 257 39 LEU HB3 H 1.754 0.007 2 195 257 39 LEU HG H 1.608 0.006 1 196 257 39 LEU HD1 H 0.647 0.006 1 197 257 39 LEU HD2 H 0.275 0.004 1 198 257 39 LEU CA C 56.320 0.000 1 199 257 39 LEU CB C 41.589 0.000 1 200 257 39 LEU CG C 26.822 0.000 1 201 257 39 LEU CD1 C 25.638 0.083 2 202 257 39 LEU CD2 C 22.600 0.03 2 203 257 39 LEU N N 119.499 0.05 1 204 258 40 SER H H 7.917 0.009 1 205 258 40 SER HA H 4.237 0.006 1 206 258 40 SER HB2 H 3.977 0.014 2 207 258 40 SER HB3 H 3.977 0.014 2 208 258 40 SER CA C 57.679 0.235 1 209 258 40 SER CB C 63.566 0.086 1 210 258 40 SER N N 113.507 0.059 1 211 259 41 ALA H H 7.027 0.008 1 212 259 41 ALA HA H 4.345 0.008 1 213 259 41 ALA HB H 1.497 0.006 1 214 259 41 ALA CA C 52.098 0.071 1 215 259 41 ALA CB C 19.396 0.043 1 216 259 41 ALA N N 123.418 0.028 1 217 260 42 LYS H H 8.842 0.005 1 218 260 42 LYS HA H 4.910 0.006 1 219 260 42 LYS HB2 H 1.860 0.002 2 220 260 42 LYS HB3 H 1.809 0.003 2 221 260 42 LYS HG2 H 1.485 0.000 2 222 260 42 LYS HG3 H 1.485 0.000 2 223 260 42 LYS HE2 H 3.055 0.000 2 224 260 42 LYS HE3 H 3.055 0.000 2 225 260 42 LYS CA C 56.080 0.153 1 226 260 42 LYS CB C 33.089 0.000 1 227 260 42 LYS CG C 25.842 0.000 1 228 260 42 LYS CD C 28.694 0.000 1 229 260 42 LYS CE C 42.004 0.000 1 230 260 42 LYS N N 121.080 0.043 1 231 261 43 ILE H H 8.526 0.006 1 232 261 43 ILE HA H 3.832 0.006 1 233 261 43 ILE HB H 1.860 0.004 1 234 261 43 ILE HG12 H 1.469 0.005 2 235 261 43 ILE HG13 H 1.035 0.006 2 236 261 43 ILE HG2 H 0.780 0.005 1 237 261 43 ILE HD1 H 0.581 0.003 1 238 261 43 ILE CA C 65.344 0.000 1 239 261 43 ILE CB C 38.132 0.000 1 240 261 43 ILE CG1 C 26.897 0.366 1 241 261 43 ILE CG2 C 18.773 0.039 1 242 261 43 ILE CD1 C 14.839 0.05 1 243 261 43 ILE N N 120.615 0.089 1 244 262 44 GLU H H 9.534 0.006 1 245 262 44 GLU HA H 3.987 0.005 1 246 262 44 GLU HB2 H 2.126 0.006 2 247 262 44 GLU HB3 H 2.126 0.006 2 248 262 44 GLU HG2 H 2.248 0.008 2 249 262 44 GLU HG3 H 2.248 0.008 2 250 262 44 GLU CA C 59.694 0.091 1 251 262 44 GLU CB C 29.039 0.000 1 252 262 44 GLU CG C 36.260 0.000 1 253 262 44 GLU N N 124.074 0.056 1 254 263 45 SER H H 7.929 0.005 1 255 263 45 SER HA H 4.349 0.002 1 256 263 45 SER HB2 H 4.075 0.004 2 257 263 45 SER HB3 H 4.075 0.004 2 258 263 45 SER CA C 60.178 0.143 1 259 263 45 SER CB C 64.041 0.062 1 260 263 45 SER N N 115.833 0.025 1 261 264 46 MET H H 7.651 0.005 1 262 264 46 MET HA H 4.238 0.005 1 263 264 46 MET HB2 H 2.343 0.02 2 264 264 46 MET HB3 H 2.343 0.02 2 265 264 46 MET HG2 H 2.486 0.005 2 266 264 46 MET HG3 H 2.486 0.005 2 267 264 46 MET HE H 1.942 0.002 1 268 264 46 MET CE C 17.385 0.018 1 269 264 46 MET N N 120.055 0.026 1 270 265 47 ASN H H 7.876 0.008 1 271 265 47 ASN HA H 4.361 0.005 1 272 265 47 ASN HB2 H 2.965 0.008 2 273 265 47 ASN HB3 H 2.729 0.004 2 274 265 47 ASN HD21 H 7.486 0.000 2 275 265 47 ASN HD22 H 6.726 0.001 2 276 265 47 ASN CA C 54.272 0.000 1 277 265 47 ASN CB C 37.620 0.000 1 278 265 47 ASN N N 116.108 0.111 1 279 265 47 ASN ND2 N 113.635 0.04 1 280 266 48 LEU H H 8.625 0.007 1 281 266 48 LEU HA H 4.399 0.006 1 282 266 48 LEU HB2 H 1.860 0.003 2 283 266 48 LEU HB3 H 1.860 0.003 2 284 266 48 LEU HG H 1.664 0.003 1 285 266 48 LEU HD1 H 0.889 0.007 1 286 266 48 LEU HD2 H 0.889 0.007 1 287 266 48 LEU CA C 54.266 0.085 1 288 266 48 LEU CB C 43.892 0.000 1 289 266 48 LEU CG C 25.871 0.000 1 290 266 48 LEU CD1 C 22.517 0.000 2 291 266 48 LEU CD2 C 22.605 0.000 2 292 266 48 LEU N N 119.318 0.048 1 293 267 49 SER H H 10.436 0.009 1 294 267 49 SER HA H 4.206 0.007 1 295 267 49 SER HB2 H 4.181 0.011 2 296 267 49 SER HB3 H 4.181 0.011 2 297 267 49 SER CA C 58.963 0.005 1 298 267 49 SER CB C 63.245 0.142 1 299 267 49 SER N N 120.886 0.053 1 300 268 50 ALA H H 8.709 0.008 1 301 268 50 ALA HA H 4.174 0.011 1 302 268 50 ALA HB H 1.487 0.003 1 303 268 50 ALA CA C 56.075 0.000 1 304 268 50 ALA CB C 17.940 0.059 1 305 268 50 ALA N N 125.713 0.043 1 306 269 51 ARG H H 8.452 0.006 1 307 269 51 ARG HA H 4.103 0.004 1 308 269 51 ARG HB2 H 1.742 0.000 2 309 269 51 ARG HB3 H 1.742 0.000 2 310 269 51 ARG HG2 H 1.895 0.000 2 311 269 51 ARG HG3 H 1.895 0.000 2 312 269 51 ARG HD2 H 3.278 0.000 2 313 269 51 ARG HD3 H 3.278 0.000 2 314 269 51 ARG CA C 59.536 0.000 1 315 269 51 ARG CB C 29.883 0.000 1 316 269 51 ARG CG C 27.423 0.000 1 317 269 51 ARG CD C 43.468 0.000 1 318 269 51 ARG N N 116.701 0.071 1 319 270 52 CYS H H 7.600 0.004 1 320 270 52 CYS HA H 4.026 0.013 1 321 270 52 CYS HB2 H 2.967 0.008 2 322 270 52 CYS HB3 H 2.967 0.008 2 323 270 52 CYS CA C 62.503 0.000 1 324 270 52 CYS CB C 26.925 0.000 1 325 270 52 CYS N N 121.875 0.034 1 326 271 53 PHE H H 8.982 0.003 1 327 271 53 PHE HA H 3.780 0.005 1 328 271 53 PHE HB2 H 3.079 0.013 2 329 271 53 PHE HB3 H 2.992 0.008 2 330 271 53 PHE HD1 H 7.111 0.005 3 331 271 53 PHE HD2 H 7.111 0.005 3 332 271 53 PHE HE1 H 7.229 0.003 3 333 271 53 PHE HE2 H 7.229 0.003 3 334 271 53 PHE CA C 62.526 0.000 1 335 271 53 PHE CB C 39.345 0.000 1 336 271 53 PHE N N 118.907 0.049 1 337 272 54 ASN H H 8.791 0.008 1 338 272 54 ASN HA H 4.214 0.005 1 339 272 54 ASN HB2 H 2.993 0.005 2 340 272 54 ASN HB3 H 2.755 0.004 2 341 272 54 ASN HD21 H 7.694 0.001 2 342 272 54 ASN HD22 H 7.022 0.013 2 343 272 54 ASN CA C 56.645 0.000 1 344 272 54 ASN CB C 38.451 0.000 1 345 272 54 ASN N N 116.571 0.031 1 346 272 54 ASN ND2 N 113.377 0.048 1 347 273 55 CYS H H 7.483 0.012 1 348 273 55 CYS HA H 4.189 0.008 1 349 273 55 CYS HB2 H 3.182 0.004 2 350 273 55 CYS HB3 H 2.921 0.008 2 351 273 55 CYS CA C 62.465 0.000 1 352 273 55 CYS CB C 26.474 0.064 1 353 273 55 CYS N N 117.576 0.04 1 354 274 56 LEU H H 7.122 0.007 1 355 274 56 LEU HA H 3.983 0.018 1 356 274 56 LEU HB2 H 1.929 0.004 2 357 274 56 LEU HB3 H 1.929 0.004 2 358 274 56 LEU HG H 1.683 0.009 1 359 274 56 LEU HD1 H 0.766 0.002 1 360 274 56 LEU HD2 H 0.704 0.001 1 361 274 56 LEU CA C 56.598 0.000 1 362 274 56 LEU CB C 41.839 0.000 1 363 274 56 LEU CG C 26.308 0.000 1 364 274 56 LEU CD1 C 26.480 0.000 2 365 274 56 LEU CD2 C 21.998 0.075 2 366 274 56 LEU N N 118.779 0.053 1 367 275 57 ASP H H 8.736 0.005 1 368 275 57 ASP HA H 4.084 0.003 1 369 275 57 ASP HB2 H 2.161 0.003 2 370 275 57 ASP HB3 H 1.817 0.002 2 371 275 57 ASP CA C 57.349 0.000 1 372 275 57 ASP CB C 43.084 0.000 1 373 275 57 ASP N N 121.170 0.104 1 374 276 58 LYS H H 7.873 0.006 1 375 276 58 LYS HA H 4.042 0.008 1 376 276 58 LYS HB2 H 1.953 0.002 2 377 276 58 LYS HB3 H 1.858 0.000 2 378 276 58 LYS HG2 H 1.587 0.007 2 379 276 58 LYS HG3 H 1.587 0.007 2 380 276 58 LYS HD2 H 1.690 0.002 2 381 276 58 LYS HD3 H 1.690 0.002 2 382 276 58 LYS HE2 H 2.995 0.000 2 383 276 58 LYS HE3 H 2.995 0.000 2 384 276 58 LYS CA C 58.516 0.000 1 385 276 58 LYS CB C 32.087 0.000 1 386 276 58 LYS CG C 25.409 0.000 1 387 276 58 LYS CD C 28.150 0.000 1 388 276 58 LYS CE C 42.291 0.000 1 389 276 58 LYS N N 117.184 0.069 1 390 277 59 ILE H H 6.951 0.006 1 391 277 59 ILE HA H 4.553 0.006 1 392 277 59 ILE HB H 2.224 0.008 1 393 277 59 ILE HG12 H 1.512 0.005 1 394 277 59 ILE HG13 H 1.512 0.005 1 395 277 59 ILE HG2 H 1.050 0.004 1 396 277 59 ILE HD1 H 0.934 0.005 1 397 277 59 ILE CA C 61.255 0.000 1 398 277 59 ILE CB C 37.994 0.000 1 399 277 59 ILE CG1 C 27.209 0.000 1 400 277 59 ILE CG2 C 18.305 0.055 1 401 277 59 ILE CD1 C 15.362 0.054 1 402 277 59 ILE N N 111.434 0.041 1 403 278 60 GLY H H 7.704 0.007 1 404 278 60 GLY HA2 H 4.125 0.011 2 405 278 60 GLY HA3 H 3.754 0.005 2 406 278 60 GLY CA C 45.897 0.000 1 407 278 60 GLY N N 110.193 0.065 1 408 279 61 ILE H H 7.428 0.009 1 409 279 61 ILE HA H 3.902 0.005 1 410 279 61 ILE HB H 1.643 0.011 1 411 279 61 ILE HG12 H 1.318 0.008 2 412 279 61 ILE HG13 H 1.279 0.009 2 413 279 61 ILE HG2 H 0.769 0.003 1 414 279 61 ILE HD1 H 0.704 0.002 1 415 279 61 ILE CA C 61.185 0.000 1 416 279 61 ILE CB C 36.251 0.000 1 417 279 61 ILE CG2 C 17.783 0.112 1 418 279 61 ILE CD1 C 11.454 0.082 1 419 279 61 ILE N N 122.450 0.029 1 420 280 62 LYS H H 9.492 0.007 1 421 280 62 LYS HA H 4.335 0.004 1 422 280 62 LYS HB2 H 1.580 0.000 2 423 280 62 LYS HB3 H 1.580 0.000 2 424 280 62 LYS HG2 H 0.987 0.003 2 425 280 62 LYS HG3 H 0.987 0.003 2 426 280 62 LYS HD2 H 1.256 0.004 2 427 280 62 LYS HD3 H 1.256 0.004 2 428 280 62 LYS HE2 H 2.927 0.000 2 429 280 62 LYS HE3 H 2.927 0.000 2 430 280 62 LYS CA C 57.172 0.000 1 431 280 62 LYS CB C 28.810 0.000 1 432 280 62 LYS CG C 23.048 0.000 1 433 280 62 LYS CD C 24.908 0.000 1 434 280 62 LYS CE C 42.122 0.000 1 435 280 62 LYS N N 127.058 0.068 1 436 281 63 TYR H H 9.048 0.006 1 437 281 63 TYR HA H 5.385 0.005 1 438 281 63 TYR HB2 H 3.229 0.004 2 439 281 63 TYR HB3 H 2.576 0.012 2 440 281 63 TYR HD1 H 7.021 0.005 3 441 281 63 TYR HD2 H 7.021 0.005 3 442 281 63 TYR HE1 H 6.744 0.02 3 443 281 63 TYR HE2 H 6.744 0.02 3 444 281 63 TYR CA C 56.978 0.000 1 445 281 63 TYR CB C 42.226 0.000 1 446 281 63 TYR N N 121.504 0.076 1 447 282 64 VAL H H 9.168 0.012 1 448 282 64 VAL HA H 3.396 0.004 1 449 282 64 VAL HB H 2.029 0.009 1 450 282 64 VAL HG1 H 0.983 0.003 1 451 282 64 VAL HG2 H 0.807 0.012 1 452 282 64 VAL CA C 67.157 0.093 1 453 282 64 VAL CB C 32.199 0.000 1 454 282 64 VAL CG1 C 22.534 0.06 2 455 282 64 VAL CG2 C 21.256 0.138 2 456 282 64 VAL N N 124.328 0.028 1 457 283 65 GLY H H 8.949 0.009 1 458 283 65 GLY HA2 H 3.627 0.001 2 459 283 65 GLY HA3 H 3.653 0.005 2 460 283 65 GLY CA C 48.390 0.000 1 461 283 65 GLY N N 104.049 0.039 1 462 284 66 GLU H H 7.669 0.004 1 463 284 66 GLU HA H 3.900 0.003 1 464 284 66 GLU HB2 H 2.288 0.004 2 465 284 66 GLU HB3 H 2.288 0.004 2 466 284 66 GLU HG2 H 2.463 0.006 2 467 284 66 GLU HG3 H 2.463 0.006 2 468 284 66 GLU CA C 59.978 0.000 1 469 284 66 GLU CB C 30.941 0.000 1 470 284 66 GLU CG C 40.193 0.000 1 471 284 66 GLU N N 117.609 0.03 1 472 285 67 LEU H H 7.433 0.004 1 473 285 67 LEU HA H 4.203 0.004 1 474 285 67 LEU HB2 H 2.209 0.003 2 475 285 67 LEU HB3 H 1.415 0.007 2 476 285 67 LEU HD1 H 0.894 0.003 1 477 285 67 LEU HD2 H 0.894 0.003 1 478 285 67 LEU CA C 57.098 0.000 1 479 285 67 LEU CB C 42.620 0.000 1 480 285 67 LEU CG C 26.696 0.000 1 481 285 67 LEU CD1 C 24.108 0.000 2 482 285 67 LEU N N 116.945 0.05 1 483 286 68 VAL H H 6.921 0.013 1 484 286 68 VAL HA H 3.895 0.008 1 485 286 68 VAL HB H 1.962 0.003 1 486 286 68 VAL HG1 H 0.775 0.004 1 487 286 68 VAL HG2 H 0.726 0.007 1 488 286 68 VAL CA C 64.261 0.085 1 489 286 68 VAL CB C 31.886 0.017 1 490 286 68 VAL CG1 C 21.105 0.000 2 491 286 68 VAL CG2 C 21.054 0.000 2 492 286 68 VAL N N 118.498 0.07 1 493 287 69 LEU H H 6.993 0.012 1 494 287 69 LEU HA H 4.062 0.006 1 495 287 69 LEU HB2 H 1.982 0.000 2 496 287 69 LEU HB3 H 1.776 0.003 2 497 287 69 LEU HG H 1.604 0.006 1 498 287 69 LEU HD1 H 0.857 0.01 1 499 287 69 LEU HD2 H 0.771 0.005 1 500 287 69 LEU CA C 55.996 0.119 1 501 287 69 LEU CB C 43.645 0.235 1 502 287 69 LEU CG C 26.419 0.000 1 503 287 69 LEU CD1 C 23.567 0.024 2 504 287 69 LEU CD2 C 22.573 0.000 2 505 287 69 LEU N N 116.687 0.04 1 506 288 70 MET H H 7.253 0.006 1 507 288 70 MET HA H 4.402 0.006 1 508 288 70 MET HB2 H 2.452 0.000 2 509 288 70 MET HB3 H 2.166 0.01 2 510 288 70 MET HG2 H 2.989 0.006 2 511 288 70 MET HG3 H 2.455 0.004 2 512 288 70 MET HE H 1.870 0.008 1 513 288 70 MET CA C 56.789 0.000 1 514 288 70 MET CB C 34.830 0.000 1 515 288 70 MET CG C 32.656 0.000 1 516 288 70 MET CE C 16.896 0.024 1 517 288 70 MET N N 120.843 0.083 1 518 289 71 SER H H 8.786 0.006 1 519 289 71 SER HA H 4.614 0.002 1 520 289 71 SER HB2 H 4.419 0.009 2 521 289 71 SER HB3 H 4.419 0.009 2 522 289 71 SER CA C 56.946 0.000 1 523 289 71 SER CB C 65.642 0.028 1 524 289 71 SER N N 118.474 0.046 1 525 290 72 GLU H H 9.033 0.004 1 526 290 72 GLU HA H 3.958 0.008 1 527 290 72 GLU HB2 H 2.060 0.000 2 528 290 72 GLU HB3 H 1.981 0.000 2 529 290 72 GLU HG2 H 2.401 0.002 2 530 290 72 GLU HG3 H 2.401 0.002 2 531 290 72 GLU CA C 60.482 0.000 1 532 290 72 GLU CB C 30.011 0.000 1 533 290 72 GLU CG C 35.866 0.000 1 534 290 72 GLU N N 122.996 0.068 1 535 291 73 GLU H H 8.461 0.007 1 536 291 73 GLU HA H 3.863 0.007 1 537 291 73 GLU HB2 H 1.985 0.000 2 538 291 73 GLU HB3 H 1.985 0.000 2 539 291 73 GLU HG2 H 2.268 0.004 2 540 291 73 GLU HG3 H 2.268 0.004 2 541 291 73 GLU CA C 59.707 0.000 1 542 291 73 GLU CB C 29.375 0.000 1 543 291 73 GLU CG C 36.668 0.000 1 544 291 73 GLU N N 117.079 0.019 1 545 292 74 GLU H H 7.828 0.004 1 546 292 74 GLU HA H 3.926 0.008 1 547 292 74 GLU HB2 H 1.946 0.000 2 548 292 74 GLU HB3 H 1.946 0.000 2 549 292 74 GLU HG2 H 2.324 0.003 2 550 292 74 GLU HG3 H 2.324 0.003 2 551 292 74 GLU CA C 59.165 0.000 1 552 292 74 GLU CB C 30.127 0.000 1 553 292 74 GLU CG C 37.595 0.000 1 554 292 74 GLU N N 121.622 0.028 1 555 293 75 LEU H H 8.384 0.007 1 556 293 75 LEU HA H 4.163 0.009 1 557 293 75 LEU HB2 H 1.865 0.001 2 558 293 75 LEU HB3 H 1.865 0.001 2 559 293 75 LEU HG H 1.770 0.01 1 560 293 75 LEU HD1 H 0.925 0.022 1 561 293 75 LEU HD2 H 0.969 0.002 1 562 293 75 LEU CA C 58.416 0.119 1 563 293 75 LEU CB C 42.603 0.000 1 564 293 75 LEU CG C 27.534 0.000 1 565 293 75 LEU CD1 C 24.965 0.246 2 566 293 75 LEU CD2 C 24.642 0.088 2 567 293 75 LEU N N 122.422 0.021 1 568 294 76 LYS H H 8.196 0.006 1 569 294 76 LYS HA H 3.818 0.009 1 570 294 76 LYS HB2 H 1.584 0.018 2 571 294 76 LYS HB3 H 1.584 0.018 2 572 294 76 LYS HG2 H 0.693 0.007 2 573 294 76 LYS HG3 H 0.693 0.007 2 574 294 76 LYS HD2 H 1.313 0.007 2 575 294 76 LYS HD3 H 1.313 0.007 2 576 294 76 LYS HE2 H 2.437 0.001 2 577 294 76 LYS HE3 H 2.437 0.001 2 578 294 76 LYS CA C 59.223 0.000 1 579 294 76 LYS CB C 32.977 0.000 1 580 294 76 LYS CG C 26.829 0.000 1 581 294 76 LYS CD C 29.500 0.067 1 582 294 76 LYS CE C 41.734 0.000 1 583 294 76 LYS N N 115.705 0.048 1 584 295 77 GLY H H 7.477 0.005 1 585 295 77 GLY HA2 H 4.129 0.005 2 586 295 77 GLY HA3 H 3.614 0.005 2 587 295 77 GLY CA C 44.915 0.000 1 588 295 77 GLY N N 105.521 0.09 1 589 296 78 VAL H H 7.086 0.006 1 590 296 78 VAL HA H 3.688 0.009 1 591 296 78 VAL HB H 2.113 0.004 1 592 296 78 VAL HG1 H 1.161 0.003 1 593 296 78 VAL HG2 H 0.935 0.007 1 594 296 78 VAL CA C 64.080 0.000 1 595 296 78 VAL CB C 32.188 0.049 1 596 296 78 VAL CG1 C 22.720 0.109 2 597 296 78 VAL CG2 C 21.956 0.058 2 598 296 78 VAL N N 124.484 0.028 1 599 297 79 LYS H H 8.373 0.004 1 600 297 79 LYS HA H 3.925 0.003 1 601 297 79 LYS HB2 H 1.759 0.000 2 602 297 79 LYS HB3 H 1.759 0.000 2 603 297 79 LYS HG2 H 1.416 0.012 2 604 297 79 LYS HG3 H 1.416 0.012 2 605 297 79 LYS HE2 H 2.985 0.000 2 606 297 79 LYS HE3 H 2.985 0.000 2 607 297 79 LYS CA C 58.613 0.000 1 608 297 79 LYS CB C 32.168 0.000 1 609 297 79 LYS CG C 24.490 0.000 1 610 297 79 LYS CD C 28.880 0.000 1 611 297 79 LYS CE C 42.165 0.000 1 612 297 79 LYS N N 130.868 0.07 1 613 298 80 ASN H H 8.862 0.007 1 614 298 80 ASN HA H 4.310 0.005 1 615 298 80 ASN HB2 H 3.144 0.001 2 616 298 80 ASN HB3 H 3.045 0.001 2 617 298 80 ASN HD21 H 7.755 0.000 2 618 298 80 ASN HD22 H 6.995 0.002 2 619 298 80 ASN CA C 55.135 0.000 1 620 298 80 ASN CB C 36.738 0.000 1 621 298 80 ASN N N 117.231 0.062 1 622 298 80 ASN ND2 N 114.890 0.032 1 623 299 81 MET H H 7.892 0.005 1 624 299 81 MET HA H 4.637 0.004 1 625 299 81 MET HB2 H 2.319 0.000 2 626 299 81 MET HB3 H 1.807 0.003 2 627 299 81 MET HG2 H 3.140 0.000 2 628 299 81 MET HG3 H 3.004 0.000 2 629 299 81 MET HE H 1.990 0.002 1 630 299 81 MET CA C 56.056 0.000 1 631 299 81 MET CB C 32.369 0.000 1 632 299 81 MET CG C 31.981 0.000 1 633 299 81 MET CE C 16.823 0.131 1 634 299 81 MET N N 122.013 0.035 1 635 300 82 GLY H H 8.060 0.004 1 636 300 82 GLY HA2 H 4.099 0.000 2 637 300 82 GLY HA3 H 4.099 0.000 2 638 300 82 GLY N N 115.564 0.235 1 639 301 83 LYS HA H 4.080 0.001 1 640 301 83 LYS HB2 H 1.895 0.000 2 641 301 83 LYS HB3 H 1.895 0.000 2 642 301 83 LYS HG2 H 1.513 0.000 2 643 301 83 LYS HG3 H 1.513 0.000 2 644 301 83 LYS HD2 H 1.760 0.000 2 645 301 83 LYS HD3 H 1.760 0.000 2 646 301 83 LYS HE2 H 3.072 0.000 2 647 301 83 LYS HE3 H 3.072 0.000 2 648 301 83 LYS CA C 60.049 0.000 1 649 301 83 LYS CB C 32.865 0.000 1 650 301 83 LYS CG C 24.931 0.000 1 651 301 83 LYS CD C 28.429 0.000 1 652 301 83 LYS CE C 42.405 0.000 1 653 302 84 LYS H H 8.411 0.007 1 654 302 84 LYS HA H 4.229 0.004 1 655 302 84 LYS HB2 H 1.911 0.006 2 656 302 84 LYS HB3 H 1.911 0.006 2 657 302 84 LYS HG2 H 1.570 0.000 2 658 302 84 LYS HG3 H 1.570 0.000 2 659 302 84 LYS HD2 H 1.696 0.000 2 660 302 84 LYS HD3 H 1.696 0.000 2 661 302 84 LYS HE2 H 3.052 0.000 2 662 302 84 LYS HE3 H 3.052 0.000 2 663 302 84 LYS CA C 59.946 0.000 1 664 302 84 LYS CB C 32.163 0.000 1 665 302 84 LYS CG C 25.333 0.000 1 666 302 84 LYS CD C 29.028 0.000 1 667 302 84 LYS CE C 42.185 0.000 1 668 302 84 LYS N N 117.891 0.067 1 669 303 85 SER H H 7.862 0.005 1 670 303 85 SER HA H 4.470 0.000 1 671 303 85 SER HB2 H 3.876 0.000 2 672 303 85 SER HB3 H 3.876 0.000 2 673 303 85 SER CA C 58.676 0.000 1 674 303 85 SER CB C 64.022 0.000 1 675 303 85 SER N N 118.292 0.097 1 676 304 86 TYR H H 8.317 0.005 1 677 304 86 TYR HA H 3.993 0.008 1 678 304 86 TYR HB2 H 3.065 0.005 2 679 304 86 TYR HB3 H 2.953 0.008 2 680 304 86 TYR HD1 H 7.019 0.008 3 681 304 86 TYR HD2 H 7.019 0.008 3 682 304 86 TYR HE1 H 6.696 0.006 3 683 304 86 TYR HE2 H 6.696 0.006 3 684 304 86 TYR CA C 62.840 0.000 1 685 304 86 TYR CB C 38.111 0.000 1 686 304 86 TYR N N 124.601 0.066 1 687 305 87 ASP H H 8.735 0.003 1 688 305 87 ASP HA H 4.208 0.002 1 689 305 87 ASP HB2 H 2.813 0.001 2 690 305 87 ASP HB3 H 2.655 0.001 2 691 305 87 ASP CA C 57.475 0.000 1 692 305 87 ASP CB C 40.059 0.000 1 693 305 87 ASP N N 119.911 0.093 1 694 306 88 GLU H H 7.685 0.007 1 695 306 88 GLU HA H 4.087 0.006 1 696 306 88 GLU HB2 H 2.399 0.003 2 697 306 88 GLU HB3 H 2.228 0.003 2 698 306 88 GLU HG2 H 2.810 0.000 2 699 306 88 GLU HG3 H 2.663 0.000 2 700 306 88 GLU CA C 59.651 0.000 1 701 306 88 GLU CB C 29.867 0.000 1 702 306 88 GLU CG C 36.002 0.000 1 703 306 88 GLU N N 121.824 0.017 1 704 307 89 ILE H H 7.913 0.012 1 705 307 89 ILE HA H 3.573 0.004 1 706 307 89 ILE HB H 1.761 0.002 1 707 307 89 ILE HG12 H 1.668 0.007 1 708 307 89 ILE HG13 H 1.668 0.007 1 709 307 89 ILE HG2 H 0.843 0.015 1 710 307 89 ILE HD1 H 0.847 0.004 1 711 307 89 ILE CA C 64.250 0.000 1 712 307 89 ILE CB C 38.330 0.000 1 713 307 89 ILE CG1 C 29.972 0.000 1 714 307 89 ILE CG2 C 18.761 0.112 1 715 307 89 ILE CD1 C 15.305 0.147 1 716 307 89 ILE N N 121.131 0.024 1 717 308 90 ALA H H 8.841 0.007 1 718 308 90 ALA HA H 4.275 0.000 1 719 308 90 ALA HB H 1.186 0.005 1 720 308 90 ALA CA C 55.502 0.000 1 721 308 90 ALA CB C 17.311 0.069 1 722 308 90 ALA N N 123.780 0.03 1 723 309 91 GLU H H 8.063 0.006 1 724 309 91 GLU HA H 4.051 0.000 1 725 309 91 GLU HB2 H 2.248 0.001 2 726 309 91 GLU HB3 H 2.248 0.001 2 727 309 91 GLU HG2 H 2.411 0.001 2 728 309 91 GLU HG3 H 2.411 0.001 2 729 309 91 GLU CA C 59.445 0.000 1 730 309 91 GLU CB C 29.561 0.000 1 731 309 91 GLU CG C 36.332 0.000 1 732 309 91 GLU N N 120.518 0.01 1 733 310 92 LYS H H 7.838 0.007 1 734 310 92 LYS HA H 4.171 0.005 1 735 310 92 LYS HB2 H 1.977 0.007 2 736 310 92 LYS HB3 H 1.977 0.007 2 737 310 92 LYS HG2 H 1.706 0.000 2 738 310 92 LYS HG3 H 1.589 0.000 2 739 310 92 LYS HD2 H 1.831 0.000 2 740 310 92 LYS HE2 H 3.084 0.000 2 741 310 92 LYS HE3 H 3.084 0.000 2 742 310 92 LYS CA C 58.771 0.000 1 743 310 92 LYS CB C 32.029 0.000 1 744 310 92 LYS CG C 25.443 0.000 1 745 310 92 LYS CD C 26.065 0.000 1 746 310 92 LYS CE C 42.737 0.000 1 747 310 92 LYS N N 120.455 0.042 1 748 311 93 LEU H H 8.711 0.005 1 749 311 93 LEU HA H 3.955 0.011 1 750 311 93 LEU HB2 H 2.076 0.008 2 751 311 93 LEU HB3 H 1.676 0.003 2 752 311 93 LEU HD1 H 0.743 0.004 1 753 311 93 LEU CA C 58.484 0.000 1 754 311 93 LEU CB C 39.768 0.055 1 755 311 93 LEU CG C 27.205 0.000 1 756 311 93 LEU CD1 C 26.085 0.000 2 757 311 93 LEU CD2 C 22.158 0.000 2 758 311 93 LEU N N 120.772 0.049 1 759 312 94 ASN H H 7.885 0.003 1 760 312 94 ASN HA H 4.061 0.005 1 761 312 94 ASN HB2 H 3.046 0.003 2 762 312 94 ASN HB3 H 2.944 0.005 2 763 312 94 ASN HD21 H 7.854 0.001 2 764 312 94 ASN HD22 H 6.855 0.004 2 765 312 94 ASN CA C 57.788 0.000 1 766 312 94 ASN CB C 39.052 0.000 1 767 312 94 ASN N N 118.930 0.053 1 768 312 94 ASN ND2 N 115.499 0.023 1 769 313 95 ASP H H 8.239 0.005 1 770 313 95 ASP HA H 4.357 0.002 1 771 313 95 ASP HB2 H 2.909 0.01 2 772 313 95 ASP HB3 H 2.724 0.008 2 773 313 95 ASP CA C 57.478 0.000 1 774 313 95 ASP CB C 40.747 0.000 1 775 313 95 ASP N N 122.333 0.02 1 776 314 96 LEU H H 7.614 0.006 1 777 314 96 LEU HA H 4.259 0.004 1 778 314 96 LEU HB2 H 1.983 0.002 2 779 314 96 LEU HB3 H 1.773 0.005 2 780 314 96 LEU HD1 H 0.882 0.005 1 781 314 96 LEU HD2 H 0.892 0.000 1 782 314 96 LEU CA C 55.795 0.000 1 783 314 96 LEU CB C 43.881 0.000 1 784 314 96 LEU CG C 26.727 0.000 1 785 314 96 LEU CD1 C 26.046 0.124 2 786 314 96 LEU CD2 C 23.843 0.127 2 787 314 96 LEU N N 119.010 0.029 1 788 315 97 GLY H H 7.692 0.003 1 789 315 97 GLY HA2 H 4.054 0.004 2 790 315 97 GLY HA3 H 3.574 0.002 2 791 315 97 GLY CA C 44.069 0.000 1 792 315 97 GLY N N 104.954 0.06 1 793 316 98 TYR H H 7.928 0.005 1 794 316 98 TYR HA H 4.719 0.000 1 795 316 98 TYR HB2 H 2.956 0.001 2 796 316 98 TYR HB3 H 2.935 0.007 2 797 316 98 TYR HD1 H 6.770 0.003 3 798 316 98 TYR HD2 H 6.770 0.003 3 799 316 98 TYR HE1 H 6.694 0.004 3 800 316 98 TYR HE2 H 6.694 0.004 3 801 316 98 TYR CA C 55.137 0.000 1 802 316 98 TYR CB C 40.190 0.000 1 803 316 98 TYR N N 119.450 0.061 1 804 317 99 PRO HA H 4.320 0.003 1 805 317 99 PRO HB2 H 2.440 0.006 2 806 317 99 PRO HB3 H 2.440 0.006 2 807 317 99 PRO HG2 H 1.977 0.000 2 808 317 99 PRO HG3 H 1.785 0.000 2 809 317 99 PRO HD2 H 3.467 0.000 2 810 317 99 PRO HD3 H 3.284 0.000 2 811 317 99 PRO CA C 62.821 0.000 1 812 317 99 PRO CB C 31.673 0.000 1 813 317 99 PRO CD C 49.926 0.000 1 814 318 100 VAL H H 9.153 0.007 1 815 318 100 VAL HA H 3.827 0.006 1 816 318 100 VAL HB H 1.964 0.007 1 817 318 100 VAL HG1 H 1.058 0.012 1 818 318 100 VAL HG2 H 1.081 0.009 1 819 318 100 VAL CA C 64.988 0.028 1 820 318 100 VAL CB C 31.780 0.015 1 821 318 100 VAL CG1 C 20.920 0.000 2 822 318 100 VAL CG2 C 21.117 0.000 2 823 318 100 VAL N N 123.901 0.04 1 824 319 101 GLY H H 9.247 0.035 1 825 319 101 GLY HA2 H 4.327 0.016 2 826 319 101 GLY HA3 H 3.834 0.007 2 827 319 101 GLY CA C 45.032 0.000 1 828 319 101 GLY N N 115.851 0.256 1 829 320 102 THR H H 8.026 0.008 1 830 320 102 THR HA H 4.166 0.005 1 831 320 102 THR HB H 4.075 0.005 1 832 320 102 THR HG2 H 1.216 0.003 1 833 320 102 THR CA C 64.537 0.000 1 834 320 102 THR CB C 69.713 0.000 1 835 320 102 THR CG2 C 21.243 0.000 1 836 320 102 THR N N 119.753 0.113 1 837 321 103 GLU H H 8.775 0.006 1 838 321 103 GLU HA H 4.462 0.004 1 839 321 103 GLU HB2 H 1.991 0.006 2 840 321 103 GLU HB3 H 1.942 0.000 2 841 321 103 GLU HG2 H 2.300 0.000 2 842 321 103 GLU HG3 H 2.183 0.000 2 843 321 103 GLU CA C 55.825 0.000 1 844 321 103 GLU CB C 30.777 0.000 1 845 321 103 GLU CG C 36.283 0.000 1 846 321 103 GLU N N 129.217 0.157 1 847 322 104 LEU H H 8.497 0.004 1 848 322 104 LEU HA H 4.585 0.013 1 849 322 104 LEU HB2 H 1.598 0.007 2 850 322 104 LEU HB3 H 1.470 0.002 2 851 322 104 LEU HG H 1.691 0.000 1 852 322 104 LEU HD1 H 0.735 0.003 1 853 322 104 LEU HD2 H 0.776 0.001 1 854 322 104 LEU CA C 54.328 0.000 1 855 322 104 LEU CB C 43.890 0.000 1 856 322 104 LEU CG C 27.158 0.000 1 857 322 104 LEU CD1 C 25.956 0.124 2 858 322 104 LEU N N 127.196 0.074 1 859 323 105 SER H H 9.063 0.005 1 860 323 105 SER HA H 4.738 0.000 1 861 323 105 SER HB2 H 4.046 0.000 2 862 323 105 SER HB3 H 4.046 0.000 2 863 323 105 SER CA C 56.957 0.000 1 864 323 105 SER CB C 62.654 0.000 1 865 323 105 SER N N 121.633 0.059 1 866 324 106 PRO HA H 4.207 0.004 1 867 324 106 PRO HB2 H 2.407 0.006 2 868 324 106 PRO HB3 H 2.422 0.000 2 869 324 106 PRO HG2 H 2.092 0.000 2 870 324 106 PRO HG3 H 2.064 0.003 2 871 324 106 PRO HD2 H 3.955 0.003 2 872 324 106 PRO HD3 H 3.955 0.003 2 873 324 106 PRO CA C 66.415 0.141 1 874 324 106 PRO CB C 31.582 0.000 1 875 324 106 PRO CD C 50.098 0.000 1 876 325 107 GLU H H 8.816 0.002 1 877 325 107 GLU HA H 4.104 0.001 1 878 325 107 GLU HB2 H 1.967 0.000 2 879 325 107 GLU HB3 H 1.967 0.000 2 880 325 107 GLU HG2 H 2.297 0.000 2 881 325 107 GLU HG3 H 2.297 0.000 2 882 325 107 GLU CA C 60.257 0.000 1 883 325 107 GLU CB C 29.004 0.000 1 884 325 107 GLU CG C 36.875 0.000 1 885 325 107 GLU N N 118.015 0.068 1 886 326 108 GLN H H 7.906 0.008 1 887 326 108 GLN HA H 4.087 0.011 1 888 326 108 GLN HB2 H 2.069 0.000 2 889 326 108 GLN HB3 H 1.934 0.004 2 890 326 108 GLN HG2 H 2.510 0.005 2 891 326 108 GLN HG3 H 2.404 0.002 2 892 326 108 GLN HE21 H 7.607 0.001 2 893 326 108 GLN HE22 H 6.984 0.003 2 894 326 108 GLN CA C 58.867 0.000 1 895 326 108 GLN CB C 29.481 0.000 1 896 326 108 GLN CG C 34.779 0.000 1 897 326 108 GLN N N 122.150 0.037 1 898 326 108 GLN NE2 N 112.824 0.02 1 899 327 109 ARG H H 8.752 0.006 1 900 327 109 ARG HA H 3.748 0.008 1 901 327 109 ARG HB2 H 1.854 0.003 2 902 327 109 ARG HB3 H 1.854 0.003 2 903 327 109 ARG HD2 H 3.247 0.001 2 904 327 109 ARG HD3 H 3.247 0.001 2 905 327 109 ARG CA C 60.546 0.000 1 906 327 109 ARG CB C 30.358 0.000 1 907 327 109 ARG CG C 28.429 0.000 1 908 327 109 ARG CD C 43.135 0.000 1 909 327 109 ARG N N 121.206 0.045 1 910 328 110 GLU H H 8.134 0.003 1 911 328 110 GLU HA H 4.045 0.005 1 912 328 110 GLU HB2 H 2.088 0.02 2 913 328 110 GLU HB3 H 2.088 0.02 2 914 328 110 GLU HG2 H 2.328 0.002 2 915 328 110 GLU HG3 H 2.328 0.002 2 916 328 110 GLU CA C 59.383 0.000 1 917 328 110 GLU CB C 29.376 0.000 1 918 328 110 GLU CG C 36.028 0.000 1 919 328 110 GLU N N 119.292 0.041 1 920 329 111 SER H H 8.019 0.004 1 921 329 111 SER HA H 4.153 0.003 1 922 329 111 SER HB2 H 4.022 0.000 2 923 329 111 SER HB3 H 3.946 0.003 2 924 329 111 SER CA C 61.575 0.000 1 925 329 111 SER CB C 62.999 0.000 1 926 329 111 SER N N 114.822 0.065 1 927 330 112 LEU H H 8.065 0.013 1 928 330 112 LEU HA H 4.088 0.018 1 929 330 112 LEU HB2 H 1.861 0.001 2 930 330 112 LEU HB3 H 1.568 0.003 2 931 330 112 LEU HG H 1.411 0.015 1 932 330 112 LEU HD1 H 0.740 0.001 1 933 330 112 LEU CA C 58.055 0.000 1 934 330 112 LEU CB C 41.531 0.078 1 935 330 112 LEU CG C 27.210 0.000 1 936 330 112 LEU CD1 C 25.846 0.093 2 937 330 112 LEU CD2 C 23.323 0.000 2 938 330 112 LEU N N 124.262 0.047 1 939 331 113 LYS H H 8.301 0.008 1 940 331 113 LYS HA H 3.777 0.004 1 941 331 113 LYS HB2 H 1.874 0.006 2 942 331 113 LYS HB3 H 1.874 0.006 2 943 331 113 LYS HG2 H 1.437 0.000 2 944 331 113 LYS HG3 H 1.437 0.000 2 945 331 113 LYS HD2 H 1.629 0.01 2 946 331 113 LYS HD3 H 1.629 0.01 2 947 331 113 LYS HE2 H 2.951 0.000 2 948 331 113 LYS HE3 H 2.951 0.000 2 949 331 113 LYS CA C 60.542 0.000 1 950 331 113 LYS CB C 32.460 0.000 1 951 331 113 LYS CG C 25.835 0.000 1 952 331 113 LYS CD C 29.372 0.000 1 953 331 113 LYS CE C 41.976 0.000 1 954 331 113 LYS N N 119.787 0.05 1 955 332 114 LYS H H 7.949 0.009 1 956 332 114 LYS HA H 4.051 0.008 1 957 332 114 LYS HB2 H 1.934 0.000 2 958 332 114 LYS HB3 H 1.862 0.004 2 959 332 114 LYS HG2 H 1.508 0.009 2 960 332 114 LYS HG3 H 1.508 0.009 2 961 332 114 LYS HD2 H 1.632 0.008 2 962 332 114 LYS HD3 H 1.632 0.008 2 963 332 114 LYS HE2 H 2.971 0.000 2 964 332 114 LYS HE3 H 2.971 0.000 2 965 332 114 LYS CA C 59.287 0.000 1 966 332 114 LYS CB C 32.330 0.000 1 967 332 114 LYS CG C 25.406 0.000 1 968 332 114 LYS CD C 28.612 0.000 1 969 332 114 LYS CE C 42.185 0.000 1 970 332 114 LYS N N 118.371 0.066 1 971 333 115 ARG H H 7.861 0.008 1 972 333 115 ARG HA H 3.996 0.015 1 973 333 115 ARG HB2 H 1.964 0.000 2 974 333 115 ARG HB3 H 1.904 0.000 2 975 333 115 ARG HG2 H 1.694 0.000 2 976 333 115 ARG HG3 H 1.694 0.000 2 977 333 115 ARG HD2 H 3.094 0.000 2 978 333 115 ARG HD3 H 3.094 0.000 2 979 333 115 ARG CA C 59.384 0.000 1 980 333 115 ARG CB C 30.267 0.000 1 981 333 115 ARG CG C 27.815 0.000 1 982 333 115 ARG CD C 43.621 0.000 1 983 333 115 ARG N N 121.162 0.074 1 984 334 116 LEU H H 8.147 0.015 1 985 334 116 LEU HA H 3.809 0.005 1 986 334 116 LEU HB2 H 1.803 0.009 2 987 334 116 LEU HB3 H 1.803 0.009 2 988 334 116 LEU HG H 1.335 0.006 1 989 334 116 LEU HD1 H 0.651 0.007 1 990 334 116 LEU HD2 H 0.463 0.005 1 991 334 116 LEU CA C 57.483 0.000 1 992 334 116 LEU CB C 40.927 0.000 1 993 334 116 LEU CG C 26.258 0.000 1 994 334 116 LEU CD1 C 25.769 0.02 2 995 334 116 LEU CD2 C 21.834 0.067 2 996 334 116 LEU N N 119.003 0.073 1 997 335 117 GLU H H 7.987 0.004 1 998 335 117 GLU HA H 4.012 0.009 1 999 335 117 GLU HB2 H 2.255 0.01 2 1000 335 117 GLU HB3 H 2.255 0.01 2 1001 335 117 GLU HG2 H 2.475 0.001 2 1002 335 117 GLU HG3 H 2.475 0.001 2 1003 335 117 GLU CA C 59.212 0.000 1 1004 335 117 GLU CB C 29.659 0.000 1 1005 335 117 GLU CG C 36.757 0.000 1 1006 335 117 GLU N N 120.234 0.042 1 1007 336 118 LYS H H 7.516 0.003 1 1008 336 118 LYS HA H 4.222 0.004 1 1009 336 118 LYS HB2 H 1.966 0.000 2 1010 336 118 LYS HB3 H 1.872 0.007 2 1011 336 118 LYS HG2 H 1.589 0.000 2 1012 336 118 LYS HG3 H 1.533 0.000 2 1013 336 118 LYS HD2 H 1.707 0.006 2 1014 336 118 LYS HD3 H 1.707 0.006 2 1015 336 118 LYS HE2 H 2.985 0.000 2 1016 336 118 LYS HE3 H 2.985 0.000 2 1017 336 118 LYS CA C 57.780 0.000 1 1018 336 118 LYS CB C 32.314 0.000 1 1019 336 118 LYS CG C 25.218 0.000 1 1020 336 118 LYS CD C 28.706 0.000 1 1021 336 118 LYS CE C 42.291 0.000 1 1022 336 118 LYS N N 118.859 0.024 1 1023 337 119 LEU H H 7.502 0.006 1 1024 337 119 LEU HA H 4.112 0.009 1 1025 337 119 LEU HB2 H 1.713 0.005 2 1026 337 119 LEU HB3 H 1.458 0.012 2 1027 337 119 LEU HG H 1.715 0.000 1 1028 337 119 LEU HD1 H 0.447 0.005 1 1029 337 119 LEU HD2 H 0.764 0.005 1 1030 337 119 LEU CA C 56.784 0.000 1 1031 337 119 LEU CB C 41.913 0.000 1 1032 337 119 LEU CG C 26.002 0.187 1 1033 337 119 LEU CD1 C 25.164 0.05 2 1034 337 119 LEU CD2 C 22.733 0.062 2 1035 337 119 LEU N N 120.668 0.066 1 1036 338 120 GLU H H 7.670 0.004 1 1037 338 120 GLU HA H 4.324 0.001 1 1038 338 120 GLU HB2 H 2.420 0.000 2 1039 338 120 GLU HB3 H 2.333 0.000 2 1040 338 120 GLU CA C 56.672 0.000 1 1041 338 120 GLU CB C 30.780 0.000 1 1042 338 120 GLU CG C 36.575 0.000 1 1043 338 120 GLU N N 118.940 0.038 1 1044 339 121 ASP H H 8.042 0.004 1 1045 339 121 ASP HA H 4.626 0.003 1 1046 339 121 ASP HB2 H 2.805 0.000 2 1047 339 121 ASP HB3 H 2.706 0.000 2 1048 339 121 ASP CA C 54.801 0.000 1 1049 339 121 ASP CB C 41.251 0.000 1 1050 339 121 ASP N N 122.178 0.072 1 1051 340 122 LYS H H 8.309 0.013 1 1052 340 122 LYS HA H 4.371 0.003 1 1053 340 122 LYS HB2 H 1.916 0.000 2 1054 340 122 LYS HB3 H 1.916 0.000 2 1055 340 122 LYS HG2 H 1.492 0.005 2 1056 340 122 LYS HG3 H 1.492 0.005 2 1057 340 122 LYS HD2 H 1.721 0.000 2 1058 340 122 LYS HD3 H 1.721 0.000 2 1059 340 122 LYS HE2 H 3.034 0.000 2 1060 340 122 LYS HE3 H 3.034 0.000 2 1061 340 122 LYS CA C 56.560 0.000 1 1062 340 122 LYS CB C 32.807 0.000 1 1063 340 122 LYS CG C 24.670 0.000 1 1064 340 122 LYS CD C 28.627 0.000 1 1065 340 122 LYS CE C 42.287 0.000 1 1066 340 122 LYS N N 122.889 0.057 1 1067 341 123 GLY H H 8.452 0.004 1 1068 341 123 GLY HA2 H 4.005 0.002 2 1069 341 123 GLY CA C 45.586 0.000 1 1070 341 123 GLY N N 110.423 0.05 1 1071 342 124 GLY H H 8.305 0.001 1 1072 342 124 GLY HA2 H 3.999 0.000 2 1073 342 124 GLY CA C 45.463 0.000 1 1074 342 124 GLY N N 109.655 0.029 1 1075 343 125 ASN H H 8.364 0.002 1 1076 343 125 ASN CA C 53.210 0.000 1 1077 343 125 ASN CB C 39.578 0.000 1 1078 343 125 ASN N N 119.720 0.046 1 stop_ save_