data_5876 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Complete backbone resonance assignments of p47: the 41kDa adaptor protein of the AAA ATPase p97 ; _BMRB_accession_number 5876 _BMRB_flat_file_name bmr5876.str _Entry_type original _Submission_date 2003-07-18 _Accession_date 2003-07-18 _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 Yuan Xuemei . . 2 Simpson Pete . . 3 Kondo Hisao . . 4 Mckeown Ciaran . . 5 Dreveny Ingrid . . 6 Shaw Anthony . . 7 Zhang Xiaodong . . 8 Freemont Paul S. . 9 Matthews Stephen J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 989 "13C chemical shifts" 563 "15N chemical shifts" 182 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-12-05 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 5874 'p47 residues 1-174, p47 monomer' stop_ _Original_release_date 2003-12-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Complete backbone resonance assignments of p47: the 41kDa adaptor protein of the AAA ATPase p97 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14752269 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yuan Xuemei . . 2 Simpson Pete . . 3 Kondo Hisao . . 4 Mckeown Ciaran . . 5 Dreveny Ingrid . . 6 Zhang Xiaodong . . 7 Freemont Paul S. . 8 Matthews Stephen J. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 28 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 309 _Page_last 310 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_system_p47 _Saveframe_category molecular_system _Mol_system_name 'p47 monomer' _Abbreviation_common p47 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'p47 residues 171-370, p47 monomer' $p47 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function ; adaptor protein of the ATPase p97 in the mediation of cellular processes including membrane fusion ; stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_p47 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common p47 _Abbreviation_common p47 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 200 _Mol_residue_sequence ; ERRRHSGQDVHVVLKLWKTG FSLDNGDLRSYQDPSNAQFL ESIRRGEVPAELRRLAHGGQ VNLDMEDHRDEDFVKPKGAF KAFTGEGQKLGSTAPQVLNT SSPAQQAENEAKASSSILIN EAEPTTNIQIRLADGGRLVQ KFNHSHRISDIRLFIVDARP AMAATSFVLMTTFPNKELAD ENQTLKEANLLNAVIVQRLT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 171 GLU 2 172 ARG 3 173 ARG 4 174 ARG 5 175 HIS 6 176 SER 7 177 GLY 8 178 GLN 9 179 ASP 10 180 VAL 11 181 HIS 12 182 VAL 13 183 VAL 14 184 LEU 15 185 LYS 16 186 LEU 17 187 TRP 18 188 LYS 19 189 THR 20 190 GLY 21 191 PHE 22 192 SER 23 193 LEU 24 194 ASP 25 195 ASN 26 196 GLY 27 197 ASP 28 198 LEU 29 199 ARG 30 200 SER 31 201 TYR 32 202 GLN 33 203 ASP 34 204 PRO 35 205 SER 36 206 ASN 37 207 ALA 38 208 GLN 39 209 PHE 40 210 LEU 41 211 GLU 42 212 SER 43 213 ILE 44 214 ARG 45 215 ARG 46 216 GLY 47 217 GLU 48 218 VAL 49 219 PRO 50 220 ALA 51 221 GLU 52 222 LEU 53 223 ARG 54 224 ARG 55 225 LEU 56 226 ALA 57 227 HIS 58 228 GLY 59 229 GLY 60 230 GLN 61 231 VAL 62 232 ASN 63 233 LEU 64 234 ASP 65 235 MET 66 236 GLU 67 237 ASP 68 238 HIS 69 239 ARG 70 240 ASP 71 241 GLU 72 242 ASP 73 243 PHE 74 244 VAL 75 245 LYS 76 246 PRO 77 247 LYS 78 248 GLY 79 249 ALA 80 250 PHE 81 251 LYS 82 252 ALA 83 253 PHE 84 254 THR 85 255 GLY 86 256 GLU 87 257 GLY 88 258 GLN 89 259 LYS 90 260 LEU 91 261 GLY 92 262 SER 93 263 THR 94 264 ALA 95 265 PRO 96 266 GLN 97 267 VAL 98 268 LEU 99 269 ASN 100 270 THR 101 271 SER 102 272 SER 103 273 PRO 104 274 ALA 105 275 GLN 106 276 GLN 107 277 ALA 108 278 GLU 109 279 ASN 110 280 GLU 111 281 ALA 112 282 LYS 113 283 ALA 114 284 SER 115 285 SER 116 286 SER 117 287 ILE 118 288 LEU 119 289 ILE 120 290 ASN 121 291 GLU 122 292 ALA 123 293 GLU 124 294 PRO 125 295 THR 126 296 THR 127 297 ASN 128 298 ILE 129 299 GLN 130 300 ILE 131 301 ARG 132 302 LEU 133 303 ALA 134 304 ASP 135 305 GLY 136 306 GLY 137 307 ARG 138 308 LEU 139 309 VAL 140 310 GLN 141 311 LYS 142 312 PHE 143 313 ASN 144 314 HIS 145 315 SER 146 316 HIS 147 317 ARG 148 318 ILE 149 319 SER 150 320 ASP 151 321 ILE 152 322 ARG 153 323 LEU 154 324 PHE 155 325 ILE 156 326 VAL 157 327 ASP 158 328 ALA 159 329 ARG 160 330 PRO 161 331 ALA 162 332 MET 163 333 ALA 164 334 ALA 165 335 THR 166 336 SER 167 337 PHE 168 338 VAL 169 339 LEU 170 340 MET 171 341 THR 172 342 THR 173 343 PHE 174 344 PRO 175 345 ASN 176 346 LYS 177 347 GLU 178 348 LEU 179 349 ALA 180 350 ASP 181 351 GLU 182 352 ASN 183 353 GLN 184 354 THR 185 355 LEU 186 356 LYS 187 357 GLU 188 358 ALA 189 359 ASN 190 360 LEU 191 361 LEU 192 362 ASN 193 363 ALA 194 364 VAL 195 365 ILE 196 366 VAL 197 367 GLN 198 368 ARG 199 369 LEU 200 370 THR 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 1S3S "Crystal Structure Of Aaa Atpase P97VCP ND1 IN COMPLEX WITH P47 C" 63.50 127 100.00 100.00 6.63e-84 DBJ BAA21659 "p47 [Rattus norvegicus]" 100.00 370 100.00 100.00 1.89e-141 DBJ BAB28604 "unnamed protein product [Mus musculus]" 100.00 370 100.00 100.00 1.73e-141 DBJ BAE23234 "unnamed protein product [Mus musculus]" 100.00 372 100.00 100.00 1.98e-141 EMBL CAA71742 "XY40 protein [Rattus norvegicus]" 100.00 370 100.00 100.00 1.89e-141 GB AAH50936 "NSFL1 (p97) cofactor (p47) [Mus musculus]" 100.00 372 100.00 100.00 1.98e-141 GB AAH72464 "NSFL1 (p97) cofactor (p47) [Rattus norvegicus]" 100.00 370 100.00 100.00 1.89e-141 GB AAI02957 "NSFL1 (p97) cofactor (p47) [Bos taurus]" 100.00 370 97.00 99.50 1.47e-137 GB AAI06102 "Nsfl1c protein, partial [Mus musculus]" 100.00 369 100.00 100.00 2.08e-141 GB EDL05910 "mCG13192, isoform CRA_a [Mus musculus]" 100.00 410 100.00 100.00 7.95e-141 REF NP_001029729 "NSFL1 cofactor p47 [Bos taurus]" 100.00 370 97.00 99.50 1.47e-137 REF NP_001278003 "NSFL1 cofactor p47 isoform b [Mus musculus]" 100.00 370 100.00 100.00 1.73e-141 REF NP_114187 "NSFL1 cofactor p47 [Rattus norvegicus]" 100.00 370 100.00 100.00 1.89e-141 REF NP_938085 "NSFL1 cofactor p47 isoform a [Mus musculus]" 100.00 372 100.00 100.00 1.98e-141 REF XP_003411671 "PREDICTED: NSFL1 cofactor p47 isoform X2 [Loxodonta africana]" 100.00 370 97.00 99.00 1.56e-137 SP O35987 "RecName: Full=NSFL1 cofactor p47; AltName: Full=XY body-associated protein XY40; AltName: Full=p97 cofactor p47 [Rattus norvegi" 100.00 370 100.00 100.00 1.89e-141 SP Q3SZC4 "RecName: Full=NSFL1 cofactor p47; AltName: Full=p97 cofactor p47 [Bos taurus]" 100.00 370 97.00 99.50 1.47e-137 SP Q9CZ44 "RecName: Full=NSFL1 cofactor p47; AltName: Full=p97 cofactor p47 [Mus musculus]" 100.00 370 100.00 100.00 1.73e-141 TPG DAA23261 "TPA: NSFL1 cofactor p47 [Bos taurus]" 100.00 370 97.00 99.50 1.47e-137 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $p47 'Norway rat' 10116 Eukaryota Metazoa Rattus norvegicus 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 $p47 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $p47 0.5 mM 0.3 0.6 '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model . _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HBHA(CBCACO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCACO)NH _Sample_label . save_ save_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ save_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCACO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_ex-cond _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.3 0.2 n/a temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $ex-cond _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'p47 residues 171-370, p47 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 . 5 HIS CA C 55.796 0.05 1 2 . 5 HIS HA H 4.633 0.05 1 3 . 5 HIS C C 173.478 0.05 1 4 . 5 HIS CB C 30.178 0.05 1 5 . 5 HIS HB2 H 3.084 0.05 1 6 . 5 HIS HB3 H 3.084 0.05 1 7 . 6 SER H H 8.374 0.05 1 8 . 6 SER N N 117.541 0.05 1 9 . 6 SER CA C 58.311 0.05 1 10 . 6 SER HA H 4.402 0.05 1 11 . 6 SER C C 173.878 0.05 1 12 . 6 SER CB C 64.605 0.05 1 13 . 6 SER HB2 H 3.765 0.05 1 14 . 6 SER HB3 H 3.765 0.05 1 15 . 7 GLY H H 8.500 0.05 1 16 . 7 GLY N N 110.908 0.05 1 17 . 7 GLY CA C 46.055 0.05 1 18 . 7 GLY HA2 H 3.890 0.05 1 19 . 7 GLY HA3 H 3.890 0.05 1 20 . 7 GLY C C 172.749 0.05 1 21 . 8 GLN H H 8.175 0.05 1 22 . 8 GLN N N 119.173 0.05 1 23 . 8 GLN CA C 55.690 0.05 1 24 . 8 GLN HA H 4.355 0.05 1 25 . 8 GLN C C 174.017 0.05 1 26 . 8 GLN CB C 30.075 0.05 1 27 . 8 GLN HB2 H 1.848 0.05 1 28 . 8 GLN HB3 H 2.016 0.05 1 29 . 8 GLN HG2 H 2.216 0.05 1 30 . 8 GLN HG3 H 2.216 0.05 1 31 . 8 GLN HE21 H 6.765 0.05 1 32 . 8 GLN HE22 H 7.551 0.05 1 33 . 9 ASP H H 8.062 0.05 1 34 . 9 ASP N N 121.592 0.05 1 35 . 9 ASP CA C 54.622 0.05 1 36 . 9 ASP HA H 4.776 0.05 1 37 . 9 ASP C C 175.649 0.05 1 38 . 9 ASP CB C 42.133 0.05 1 39 . 9 ASP HB2 H 2.469 0.05 1 40 . 9 ASP HB3 H 2.469 0.05 1 41 . 10 VAL H H 8.388 0.05 1 42 . 10 VAL N N 120.491 0.05 1 43 . 10 VAL CA C 61.980 0.05 1 44 . 10 VAL HA H 4.199 0.05 1 45 . 10 VAL C C 173.200 0.05 1 46 . 10 VAL CB C 35.370 0.05 1 47 . 10 VAL HB H 1.857 0.05 1 48 . 10 VAL HG1 H 0.790 0.05 1 49 . 10 VAL HG2 H 0.790 0.05 1 50 . 11 HIS H H 8.889 0.05 1 51 . 11 HIS N N 126.534 0.05 1 52 . 11 HIS CA C 54.519 0.05 1 53 . 11 HIS HA H 5.439 0.05 1 54 . 11 HIS C C 172.784 0.05 1 55 . 11 HIS CB C 30.785 0.05 1 56 . 11 HIS HB2 H 3.084 0.05 1 57 . 11 HIS HB3 H 3.084 0.05 1 58 . 11 HIS HD2 H 7.112 0.05 1 59 . 12 VAL H H 8.384 0.05 1 60 . 12 VAL N N 126.812 0.05 1 61 . 12 VAL CA C 60.902 0.05 1 62 . 12 VAL HA H 4.511 0.05 1 63 . 12 VAL C C 172.158 0.05 1 64 . 12 VAL CB C 36.490 0.05 1 65 . 12 VAL HB H 1.653 0.05 1 66 . 12 VAL HG1 H 0.783 0.05 1 67 . 12 VAL HG2 H 0.783 0.05 1 68 . 13 VAL H H 8.957 0.05 1 69 . 13 VAL N N 126.899 0.05 1 70 . 13 VAL CA C 61.351 0.05 1 71 . 13 VAL HA H 4.523 0.05 1 72 . 13 VAL C C 173.374 0.05 1 73 . 13 VAL CB C 33.392 0.05 1 74 . 13 VAL HB H 1.968 0.05 1 75 . 13 VAL HG1 H 0.790 0.05 1 76 . 13 VAL HG2 H 0.790 0.05 1 77 . 14 LEU H H 8.999 0.05 1 78 . 14 LEU N N 131.038 0.05 1 79 . 14 LEU CA C 54.004 0.05 1 80 . 14 LEU HA H 4.948 0.05 1 81 . 14 LEU C C 172.749 0.05 1 82 . 14 LEU CB C 44.642 0.05 1 83 . 14 LEU HB2 H 1.150 0.05 1 84 . 14 LEU HB3 H 1.858 0.05 1 85 . 14 LEU HD1 H 0.728 0.05 1 86 . 14 LEU HD2 H 0.728 0.05 1 87 . 14 LEU HG H 1.303 0.05 1 88 . 15 LYS H H 9.566 0.05 1 89 . 15 LYS N N 127.611 0.05 1 90 . 15 LYS CA C 56.109 0.05 1 91 . 15 LYS HA H 4.846 0.05 1 92 . 15 LYS C C 173.426 0.05 1 93 . 15 LYS CB C 34.086 0.05 1 94 . 15 LYS HB2 H 2.224 0.05 1 95 . 15 LYS HB3 H 2.224 0.05 1 96 . 15 LYS HG2 H 0.876 0.05 1 97 . 15 LYS HG3 H 0.876 0.05 1 98 . 15 LYS HD2 H 1.482 0.05 1 99 . 15 LYS HD3 H 1.715 0.05 1 100 . 15 LYS HE2 H 2.849 0.05 1 101 . 15 LYS HE3 H 2.849 0.05 1 102 . 16 LEU H H 7.954 0.05 1 103 . 16 LEU N N 122.207 0.05 1 104 . 16 LEU CA C 54.096 0.05 1 105 . 16 LEU HA H 4.574 0.05 1 106 . 16 LEU C C 173.739 0.05 1 107 . 16 LEU CB C 42.898 0.05 1 108 . 16 LEU HB2 H 1.532 0.05 1 109 . 16 LEU HB3 H 1.795 0.05 1 110 . 16 LEU HD1 H 0.805 0.05 1 111 . 16 LEU HD2 H 0.805 0.05 1 112 . 16 LEU HG H 1.062 0.05 1 113 . 17 TRP H H 8.766 0.05 1 114 . 17 TRP N N 121.383 0.05 1 115 . 17 TRP CA C 56.009 0.05 1 116 . 17 TRP HA H 5.191 0.05 1 117 . 17 TRP C C 176.939 0.05 1 118 . 17 TRP CB C 31.647 0.05 1 119 . 17 TRP HB2 H 3.038 0.05 1 120 . 17 TRP HB3 H 3.732 0.05 1 121 . 17 TRP HD1 H 6.596 0.05 1 122 . 17 TRP NE1 N 129.922 0.05 1 123 . 17 TRP HE1 H 10.359 0.05 1 124 . 17 TRP HE3 H 6.934 0.05 1 125 . 17 TRP HZ2 H 6.415 0.05 1 126 . 17 TRP HZ3 H 6.596 0.05 1 127 . 17 TRP HH2 H 7.064 0.05 1 128 . 18 LYS H H 8.758 0.05 1 129 . 18 LYS N N 121.170 0.05 1 130 . 18 LYS CA C 61.990 0.05 1 131 . 18 LYS HA H 4.446 0.05 1 132 . 18 LYS C C 178.341 0.05 1 133 . 18 LYS CB C 33.995 0.05 1 134 . 18 LYS HB2 H 1.776 0.05 1 135 . 18 LYS HB3 H 1.776 0.05 1 136 . 18 LYS HD2 H 1.534 0.05 1 137 . 18 LYS HD3 H 1.534 0.05 1 138 . 18 LYS HE2 H 3.455 0.05 1 139 . 18 LYS HE3 H 3.455 0.05 1 140 . 19 THR H H 7.650 0.05 1 141 . 19 THR N N 100.489 0.05 1 142 . 19 THR CA C 61.256 0.05 1 143 . 19 THR HA H 4.695 0.05 1 144 . 19 THR C C 173.826 0.05 1 145 . 19 THR CB C 69.700 0.05 1 146 . 19 THR HB H 4.516 0.05 1 147 . 19 THR HG2 H 1.162 0.05 1 148 . 20 GLY H H 6.985 0.05 1 149 . 20 GLY N N 113.583 0.05 1 150 . 20 GLY CA C 45.349 0.05 1 151 . 20 GLY HA2 H 2.085 0.05 1 152 . 20 GLY HA3 H 3.517 0.05 1 153 . 20 GLY C C 115.139 0.05 1 154 . 21 PHE H H 8.507 0.05 1 155 . 21 PHE N N 115.139 0.05 1 156 . 21 PHE CA C 54.463 0.05 1 157 . 21 PHE HA H 6.158 0.05 1 158 . 21 PHE C C 171.257 0.05 1 159 . 21 PHE CB C 43.724 0.05 1 160 . 21 PHE HB2 H 2.960 0.05 1 161 . 21 PHE HB3 H 3.362 0.05 1 162 . 21 PHE HD1 H 6.671 0.05 1 163 . 21 PHE HD2 H 6.671 0.05 1 164 . 21 PHE HE1 H 6.756 0.05 1 165 . 21 PHE HE2 H 6.756 0.05 1 166 . 21 PHE HZ H 6.330 0.05 1 167 . 22 SER H H 9.928 0.05 1 168 . 22 SER N N 114.805 0.05 1 169 . 22 SER CA C 57.736 0.05 1 170 . 22 SER HA H 4.633 0.05 1 171 . 22 SER C C 170.890 0.05 1 172 . 22 SER CB C 67.864 0.05 1 173 . 22 SER HB2 H 3.269 0.05 1 174 . 22 SER HB3 H 3.641 0.05 1 175 . 23 LEU H H 9.165 0.05 1 176 . 23 LEU N N 120.478 0.05 1 177 . 23 LEU CA C 52.811 0.05 1 178 . 23 LEU HA H 5.374 0.05 1 179 . 23 LEU C C 176.460 0.05 1 180 . 23 LEU CB C 43.724 0.05 1 181 . 23 LEU HB2 H 1.219 0.05 1 182 . 23 LEU HB3 H 1.596 0.05 1 183 . 23 LEU HD1 H 0.913 0.05 1 184 . 23 LEU HD2 H 0.913 0.05 1 185 . 23 LEU HG H 1.596 0.05 1 186 . 24 ASP H H 10.036 0.05 1 187 . 24 ASP N N 124.874 0.05 1 188 . 24 ASP CA C 57.716 0.05 1 189 . 24 ASP HA H 4.122 0.05 1 190 . 24 ASP C C 176.784 0.05 1 191 . 24 ASP CB C 40.209 0.05 1 192 . 24 ASP HB2 H 2.712 0.05 1 193 . 24 ASP HB3 H 2.712 0.05 1 194 . 25 ASN H H 6.929 0.05 1 195 . 25 ASN N N 113.166 0.05 1 196 . 25 ASN CA C 53.637 0.05 1 197 . 25 ASN HA H 5.005 0.05 1 198 . 25 ASN C C 174.107 0.05 1 199 . 25 ASN CB C 38.401 0.05 1 200 . 25 ASN HB2 H 2.712 0.05 1 201 . 25 ASN HB3 H 2.898 0.05 1 202 . 25 ASN ND2 N 114.972 0.05 1 203 . 25 ASN HD21 H 6.866 0.05 1 204 . 25 ASN HD22 H 7.780 0.05 1 205 . 26 GLY H H 8.671 0.05 1 206 . 26 GLY N N 107.166 0.05 1 207 . 26 GLY CA C 45.280 0.05 1 208 . 26 GLY HA2 H 4.080 0.05 1 209 . 26 GLY HA3 H 4.080 0.05 1 210 . 26 GLY C C 172.120 0.05 1 211 . 27 ASP H H 7.988 0.05 1 212 . 27 ASP N N 116.163 0.05 1 213 . 27 ASP CA C 54.340 0.05 1 214 . 27 ASP HA H 4.387 0.05 1 215 . 27 ASP C C 173.826 0.05 1 216 . 27 ASP CB C 42.917 0.05 1 217 . 27 ASP HB2 H 2.278 0.05 1 218 . 27 ASP HB3 H 2.464 0.05 1 219 . 28 LEU H H 7.115 0.05 1 220 . 28 LEU N N 120.201 0.05 1 221 . 28 LEU CA C 56.207 0.05 1 222 . 28 LEU HA H 2.960 0.05 1 223 . 28 LEU C C 175.165 0.05 1 224 . 28 LEU CB C 41.980 0.05 1 225 . 28 LEU HB2 H -0.642 0.05 1 226 . 28 LEU HB3 H 0.814 0.05 1 227 . 28 LEU CD1 C 23.645 0.05 1 228 . 28 LEU HD1 H -0.084 0.05 1 229 . 28 LEU HD2 H 0.226 0.05 1 230 . 28 LEU HG H 0.567 0.05 1 231 . 29 ARG H H 8.882 0.05 1 232 . 29 ARG N N 128.584 0.05 1 233 . 29 ARG CA C 54.463 0.05 1 234 . 29 ARG HA H 3.884 0.05 1 235 . 29 ARG C C 175.441 0.05 1 236 . 29 ARG CB C 29.681 0.05 1 237 . 29 ARG HB2 H -0.239 0.05 1 238 . 29 ARG HB3 H 0.603 0.05 1 239 . 29 ARG HG2 H 1.031 0.05 1 240 . 29 ARG HG3 H 1.161 0.05 1 241 . 29 ARG HD2 H 2.209 0.05 1 242 . 29 ARG HD3 H 2.209 0.05 1 243 . 29 ARG NE N 115.348 0.05 1 244 . 29 ARG HE H 6.014 0.05 1 245 . 30 SER H H 8.133 0.05 1 246 . 30 SER N N 115.909 0.05 1 247 . 30 SER CA C 61.806 0.05 1 248 . 30 SER HA H 4.099 0.05 1 249 . 30 SER C C 172.207 0.05 1 250 . 30 SER CB C 70.159 0.05 1 251 . 30 SER HB2 H 3.572 0.05 1 252 . 30 SER HB3 H 3.882 0.05 1 253 . 31 TYR H H 8.092 0.05 1 254 . 31 TYR N N 126.230 0.05 1 255 . 31 TYR CA C 60.613 0.05 1 256 . 31 TYR HA H 4.502 0.05 1 257 . 31 TYR C C 174.399 0.05 1 258 . 31 TYR CB C 38.026 0.05 1 259 . 31 TYR HB2 H 2.767 0.05 1 260 . 31 TYR HB3 H 3.262 0.05 1 261 . 31 TYR HD1 H 7.105 0.05 1 262 . 31 TYR HD2 H 7.105 0.05 1 263 . 31 TYR HE1 H 6.795 0.05 1 264 . 31 TYR HE2 H 6.795 0.05 1 265 . 32 GLN H H 8.110 0.05 1 266 . 32 GLN N N 113.761 0.05 1 267 . 32 GLN CA C 56.541 0.05 1 268 . 32 GLN HA H 4.199 0.05 1 269 . 32 GLN C C 174.798 0.05 1 270 . 32 GLN CB C 29.602 0.05 1 271 . 32 GLN HB2 H 1.844 0.05 1 272 . 32 GLN HB3 H 2.209 0.05 1 273 . 32 GLN HG2 H 2.359 0.05 1 274 . 32 GLN HG3 H 2.359 0.05 1 275 . 32 GLN NE2 N 109.315 0.05 1 276 . 32 GLN HE21 H 6.493 0.05 1 277 . 32 GLN HE22 H 7.448 0.05 1 278 . 33 ASP H H 6.837 0.05 1 279 . 33 ASP N N 121.149 0.05 1 280 . 33 ASP CA C 51.801 0.05 1 281 . 33 ASP HA H 4.812 0.05 1 282 . 33 ASP C C 175.108 0.05 1 283 . 33 ASP CB C 42.805 0.05 1 284 . 33 ASP HB2 H 2.519 0.05 1 285 . 33 ASP HB3 H 2.829 0.05 1 286 . 34 PRO CA C 65.386 0.05 1 287 . 34 PRO HA H 4.323 0.05 1 288 . 34 PRO C C 177.778 0.05 1 289 . 34 PRO CB C 32.618 0.05 1 290 . 34 PRO HB2 H 2.030 0.05 1 291 . 34 PRO HB3 H 2.402 0.05 1 292 . 34 PRO CD C 51.832 0.05 1 293 . 34 PRO HD2 H 3.904 0.05 1 294 . 34 PRO HD3 H 4.120 0.05 1 295 . 35 SER H H 8.646 0.05 1 296 . 35 SER N N 115.007 0.05 1 297 . 35 SER CA C 61.558 0.05 1 298 . 35 SER HA H 4.285 0.05 1 299 . 35 SER C C 176.158 0.05 1 300 . 35 SER CB C 63.183 0.05 1 301 . 35 SER HB2 H 3.827 0.05 1 302 . 35 SER HB3 H 3.827 0.05 1 303 . 36 ASN H H 8.108 0.05 1 304 . 36 ASN N N 118.949 0.05 1 305 . 36 ASN CA C 56.758 0.05 1 306 . 36 ASN HA H 5.036 0.05 1 307 . 36 ASN C C 174.625 0.05 1 308 . 36 ASN CB C 39.577 0.05 1 309 . 36 ASN HB2 H 3.022 0.05 1 310 . 36 ASN HB3 H 3.022 0.05 1 311 . 36 ASN ND2 N 118.134 0.05 1 312 . 36 ASN HD21 H 7.328 0.05 1 313 . 36 ASN HD22 H 7.328 0.05 1 314 . 37 ALA H H 7.900 0.05 1 315 . 37 ALA N N 123.622 0.05 1 316 . 37 ALA CA C 54.280 0.05 1 317 . 37 ALA HA H 4.137 0.05 1 318 . 37 ALA C C 179.419 0.05 1 319 . 37 ALA CB C 18.892 0.05 1 320 . 37 ALA HB H 1.534 0.05 1 321 . 38 GLN H H 8.394 0.05 1 322 . 38 GLN N N 118.100 0.05 1 323 . 38 GLN CA C 60.062 0.05 1 324 . 38 GLN HA H 4.013 0.05 1 325 . 38 GLN C C 177.410 0.05 1 326 . 38 GLN CB C 28.763 0.05 1 327 . 38 GLN HB2 H 2.123 0.05 1 328 . 38 GLN HB3 H 2.123 0.05 1 329 . 38 GLN HG2 H 2.433 0.05 1 330 . 38 GLN HG3 H 2.433 0.05 1 331 . 39 PHE H H 8.362 0.05 1 332 . 39 PHE N N 122.864 0.05 1 333 . 39 PHE CA C 61.992 0.05 1 334 . 39 PHE HA H 3.820 0.05 1 335 . 39 PHE C C 176.504 0.05 1 336 . 39 PHE CB C 39.177 0.05 1 337 . 39 PHE HB2 H 3.201 0.05 1 338 . 39 PHE HB3 H 3.386 0.05 1 339 . 39 PHE HD1 H 6.770 0.05 1 340 . 39 PHE HD2 H 6.770 0.05 1 341 . 39 PHE HE1 H 6.378 0.05 1 342 . 39 PHE HE2 H 6.378 0.05 1 343 . 40 LEU H H 7.973 0.05 1 344 . 40 LEU N N 116.907 0.05 1 345 . 40 LEU CA C 57.951 0.05 1 346 . 40 LEU HA H 3.789 0.05 1 347 . 40 LEU C C 178.015 0.05 1 348 . 40 LEU CB C 42.072 0.05 1 349 . 40 LEU HB2 H 1.434 0.05 1 350 . 40 LEU HB3 H 1.713 0.05 1 351 . 40 LEU HD1 H 0.628 0.05 1 352 . 40 LEU HD2 H 1.031 0.05 1 353 . 41 GLU H H 8.329 0.05 1 354 . 41 GLU N N 121.165 0.05 1 355 . 41 GLU CA C 59.420 0.05 1 356 . 41 GLU HA H 4.001 0.05 1 357 . 41 GLU C C 177.670 0.05 1 358 . 41 GLU CB C 29.313 0.05 1 359 . 41 GLU HB2 H 1.968 0.05 1 360 . 41 GLU HB3 H 1.968 0.05 1 361 . 41 GLU HG2 H 2.178 0.05 1 362 . 41 GLU HG3 H 2.178 0.05 1 363 . 42 SER H H 7.864 0.05 1 364 . 42 SER N N 115.378 0.05 1 365 . 42 SER CA C 62.541 0.05 1 366 . 42 SER HA H 3.827 0.05 1 367 . 42 SER C C 174.841 0.05 1 368 . 42 SER CB C 64.743 0.05 1 369 . 42 SER HB2 H 3.431 0.05 1 370 . 42 SER HB3 H 3.758 0.05 1 371 . 43 ILE H H 7.437 0.05 1 372 . 43 ILE N N 119.403 0.05 1 373 . 43 ILE CA C 63.459 0.05 1 374 . 43 ILE HA H 3.765 0.05 1 375 . 43 ILE C C 179.320 0.05 1 376 . 43 ILE CB C 36.521 0.05 1 377 . 43 ILE HB H 1.906 0.05 1 378 . 43 ILE CG2 C 18.467 0.05 1 379 . 43 ILE HG2 H 0.614 0.05 1 380 . 43 ILE HG12 H 1.038 0.05 1 381 . 43 ILE HG13 H 1.224 0.05 1 382 . 43 ILE CD1 C 12.140 0.05 1 383 . 43 ILE HD1 H 0.356 0.05 1 384 . 44 ARG H H 8.128 0.05 1 385 . 44 ARG N N 122.028 0.05 1 386 . 44 ARG CA C 60.390 0.05 1 387 . 44 ARG HA H 3.889 0.05 1 388 . 44 ARG C C 176.871 0.05 1 389 . 44 ARG CB C 30.530 0.05 1 390 . 44 ARG HB2 H 1.844 0.05 1 391 . 44 ARG HB3 H 1.844 0.05 1 392 . 44 ARG CD C 43.779 0.05 1 393 . 44 ARG HD2 H 3.015 0.05 1 394 . 44 ARG HD3 H 3.015 0.05 1 395 . 44 ARG NE N 117.211 0.05 1 396 . 44 ARG HE H 7.168 0.05 1 397 . 45 ARG H H 7.464 0.05 1 398 . 45 ARG N N 115.942 0.05 1 399 . 45 ARG CA C 56.667 0.05 1 400 . 45 ARG HA H 4.215 0.05 1 401 . 45 ARG C C 175.251 0.05 1 402 . 45 ARG CB C 31.653 0.05 1 403 . 45 ARG HB2 H 1.658 0.05 1 404 . 45 ARG HB3 H 1.844 0.05 1 405 . 45 ARG NE N 116.801 0.05 1 406 . 45 ARG HE H 7.388 0.05 1 407 . 46 GLY H H 7.897 0.05 1 408 . 46 GLY N N 108.614 0.05 1 409 . 46 GLY CA C 46.592 0.05 1 410 . 46 GLY HA2 H 3.703 0.05 1 411 . 46 GLY HA3 H 3.951 0.05 1 412 . 46 GLY C C 172.984 0.05 1 413 . 47 GLU H H 7.898 0.05 1 414 . 47 GLU N N 119.484 0.05 1 415 . 47 GLU CA C 53.931 0.05 1 416 . 47 GLU HA H 4.347 0.05 1 417 . 47 GLU C C 174.258 0.05 1 418 . 47 GLU CB C 32.593 0.05 1 419 . 47 GLU HB2 H 1.620 0.05 1 420 . 47 GLU HB3 H 1.620 0.05 1 421 . 47 GLU HG2 H 1.899 0.05 1 422 . 47 GLU HG3 H 1.899 0.05 1 423 . 48 VAL H H 8.398 0.05 1 424 . 48 VAL N N 122.180 0.05 1 425 . 48 VAL CA C 60.917 0.05 1 426 . 48 VAL HA H 3.758 0.05 1 427 . 48 VAL HB H 1.744 0.05 1 428 . 48 VAL HG1 H 0.814 0.05 1 429 . 48 VAL HG2 H 0.814 0.05 1 430 . 49 PRO CA C 63.085 0.05 1 431 . 49 PRO HA H 4.075 0.05 1 432 . 49 PRO C C 175.683 0.05 1 433 . 49 PRO CB C 34.886 0.05 1 434 . 49 PRO HB2 H 1.303 0.05 1 435 . 49 PRO HB3 H 2.216 0.05 1 436 . 49 PRO HD2 H 2.934 0.05 1 437 . 49 PRO HD3 H 2.934 0.05 1 438 . 50 ALA H H 8.960 0.05 1 439 . 50 ALA N N 128.816 0.05 1 440 . 50 ALA CA C 56.263 0.05 1 441 . 50 ALA HA H 3.775 0.05 1 442 . 50 ALA C C 178.749 0.05 1 443 . 50 ALA CB C 18.614 0.05 1 444 . 50 ALA HB H 1.348 0.05 1 445 . 51 GLU H H 9.226 0.05 1 446 . 51 GLU N N 115.667 0.05 1 447 . 51 GLU CA C 59.890 0.05 1 448 . 51 GLU HA H 3.992 0.05 1 449 . 51 GLU C C 176.935 0.05 1 450 . 51 GLU CB C 31.307 0.05 1 451 . 51 GLU HB2 H 1.906 0.05 1 452 . 51 GLU HB3 H 2.215 0.05 1 453 . 52 LEU H H 7.207 0.05 1 454 . 52 LEU N N 114.987 0.05 1 455 . 52 LEU CA C 56.263 0.05 1 456 . 52 LEU HA H 4.261 0.05 1 457 . 52 LEU C C 176.892 0.05 1 458 . 52 LEU CB C 41.843 0.05 1 459 . 52 LEU HB2 H 1.279 0.05 1 460 . 52 LEU HB3 H 1.620 0.05 1 461 . 52 LEU HD1 H 0.721 0.05 1 462 . 52 LEU HD2 H 0.876 0.05 1 463 . 52 LEU HG H 2.178 0.05 1 464 . 53 ARG H H 7.555 0.05 1 465 . 53 ARG N N 118.772 0.05 1 466 . 53 ARG CA C 60.137 0.05 1 467 . 53 ARG HA H 3.727 0.05 1 468 . 53 ARG C C 175.683 0.05 1 469 . 53 ARG CB C 30.123 0.05 1 470 . 53 ARG HB2 H 1.744 0.05 1 471 . 53 ARG HB3 H 1.744 0.05 1 472 . 53 ARG HD2 H 3.054 0.05 1 473 . 53 ARG HD3 H 3.054 0.05 1 474 . 53 ARG NE N 118.749 0.05 1 475 . 53 ARG HE H 7.062 0.05 1 476 . 54 ARG H H 7.786 0.05 1 477 . 54 ARG N N 116.292 0.05 1 478 . 54 ARG HA H 3.975 0.05 1 479 . 54 ARG C C 177.391 0.05 1 480 . 54 ARG HB2 H 1.744 0.05 1 481 . 54 ARG HB3 H 1.744 0.05 1 482 . 54 ARG HG2 H 1.527 0.05 1 483 . 54 ARG HG3 H 1.527 0.05 1 484 . 54 ARG HD2 H 2.705 0.05 1 485 . 54 ARG HD3 H 2.798 0.05 1 486 . 54 ARG NE N 116.314 0.05 1 487 . 54 ARG HE H 7.025 0.05 1 488 . 55 LEU H H 7.705 0.05 1 489 . 55 LEU CA C 56.868 0.05 1 490 . 55 LEU HA H 4.013 0.05 1 491 . 55 LEU C C 176.180 0.05 1 492 . 55 LEU CB C 42.533 0.05 1 493 . 55 LEU HB2 H 1.564 0.05 1 494 . 55 LEU HB3 H 1.720 0.05 1 495 . 55 LEU HD1 H 0.604 0.05 1 496 . 55 LEU HD2 H 0.790 0.05 1 497 . 56 ALA H H 7.161 0.05 1 498 . 56 ALA N N 118.256 0.05 1 499 . 56 ALA CA C 52.223 0.05 1 500 . 56 ALA HA H 4.137 0.05 1 501 . 56 ALA C C 176.676 0.05 1 502 . 56 ALA CB C 20.254 0.05 1 503 . 56 ALA HB H 1.100 0.05 1 504 . 57 HIS H H 8.021 0.05 1 505 . 57 HIS N N 117.178 0.05 1 506 . 57 HIS CA C 56.350 0.05 1 507 . 57 HIS HA H 4.323 0.05 1 508 . 57 HIS C C 173.805 0.05 1 509 . 57 HIS CB C 28.026 0.05 1 510 . 57 HIS HB2 H 3.208 0.05 1 511 . 57 HIS HB3 H 3.208 0.05 1 512 . 57 HIS HD2 H 7.157 0.05 1 513 . 58 GLY H H 8.482 0.05 1 514 . 58 GLY N N 107.009 0.05 1 515 . 58 GLY CA C 45.815 0.05 1 516 . 58 GLY HA2 H 3.532 0.05 1 517 . 58 GLY HA3 H 4.199 0.05 1 518 . 58 GLY C C 173.783 0.05 1 519 . 59 GLY H H 7.543 0.05 1 520 . 59 GLY N N 108.012 0.05 1 521 . 59 GLY CA C 44.655 0.05 1 522 . 59 GLY HA2 H 3.603 0.05 1 523 . 59 GLY HA3 H 4.219 0.05 1 524 . 59 GLY C C 171.289 0.05 1 525 . 60 GLN H H 8.449 0.05 1 526 . 60 GLN N N 119.476 0.05 1 527 . 60 GLN CA C 55.745 0.05 1 528 . 60 GLN HA H 4.254 0.05 1 529 . 60 GLN C C 174.379 0.05 1 530 . 60 GLN CB C 30.852 0.05 1 531 . 60 GLN HB2 H 1.787 0.05 1 532 . 60 GLN HB3 H 1.787 0.05 1 533 . 60 GLN HG2 H 2.147 0.05 1 534 . 60 GLN HG3 H 2.426 0.05 1 535 . 60 GLN NE2 N 111.302 0.05 1 536 . 60 GLN HE21 H 6.705 0.05 1 537 . 60 GLN HE22 H 7.546 0.05 1 538 . 61 VAL H H 8.164 0.05 1 539 . 61 VAL N N 121.573 0.05 1 540 . 61 VAL CA C 62.187 0.05 1 541 . 61 VAL HA H 4.267 0.05 1 542 . 61 VAL C C 173.956 0.05 1 543 . 61 VAL HB H 1.736 0.05 1 544 . 61 VAL CG1 C 24.790 0.05 1 545 . 61 VAL HG1 H 0.574 0.05 1 546 . 61 VAL HG2 H 0.574 0.05 1 547 . 62 ASN H H 8.733 0.05 1 548 . 62 ASN N N 126.704 0.05 1 549 . 62 ASN CA C 52.637 0.05 1 550 . 62 ASN HA H 4.757 0.05 1 551 . 62 ASN C C 171.300 0.05 1 552 . 62 ASN CB C 40.029 0.05 1 553 . 62 ASN HB2 H 2.284 0.05 1 554 . 62 ASN HB3 H 2.457 0.05 1 555 . 62 ASN ND2 N 112.441 0.05 1 556 . 62 ASN HD21 H 6.864 0.05 1 557 . 62 ASN HD22 H 7.112 0.05 1 558 . 63 LEU H H 8.446 0.05 1 559 . 63 LEU N N 126.641 0.05 1 560 . 63 LEU CA C 54.277 0.05 1 561 . 63 LEU HA H 4.942 0.05 1 562 . 63 LEU C C 174.128 0.05 1 563 . 63 LEU CB C 45.038 0.05 1 564 . 63 LEU HB2 H 1.008 0.05 1 565 . 63 LEU HB3 H 1.627 0.05 1 566 . 63 LEU HD1 H 0.627 0.05 1 567 . 63 LEU HD2 H 0.627 0.05 1 568 . 63 LEU HG H 1.279 0.05 1 569 . 64 ASP H H 8.756 0.05 1 570 . 64 ASP N N 127.484 0.05 1 571 . 64 ASP CA C 53.327 0.05 1 572 . 64 ASP HA H 4.995 0.05 1 573 . 64 ASP C C 173.135 0.05 1 574 . 64 ASP CB C 44.088 0.05 1 575 . 64 ASP HB2 H 2.402 0.05 1 576 . 64 ASP HB3 H 2.712 0.05 1 577 . 65 MET H H 8.651 0.05 1 578 . 65 MET N N 120.543 0.05 1 579 . 65 MET CA C 54.882 0.05 1 580 . 65 MET HA H 5.377 0.05 1 581 . 65 MET C C 174.755 0.05 1 582 . 65 MET CB C 35.969 0.05 1 583 . 65 MET HB2 H 1.782 0.05 1 584 . 65 MET HB3 H 1.782 0.05 1 585 . 65 MET CE C 19.618 0.05 1 586 . 65 MET HE H 1.950 0.05 1 587 . 66 GLU H H 9.131 0.05 1 588 . 66 GLU N N 123.661 0.05 1 589 . 66 GLU CA C 54.968 0.05 1 590 . 66 GLU HA H 4.391 0.05 1 591 . 66 GLU C C 173.222 0.05 1 592 . 66 GLU CB C 33.934 0.05 1 593 . 66 GLU HB2 H 1.618 0.05 1 594 . 66 GLU HB3 H 1.618 0.05 1 595 . 66 GLU HG2 H 1.928 0.05 1 596 . 66 GLU HG3 H 2.270 0.05 1 597 . 67 ASP H H 8.719 0.05 1 598 . 67 ASP N N 125.299 0.05 1 599 . 67 ASP CA C 54.795 0.05 1 600 . 67 ASP HA H 4.391 0.05 1 601 . 67 ASP C C 174.107 0.05 1 602 . 67 ASP CB C 41.350 0.05 1 603 . 67 ASP HB2 H 2.267 0.05 1 604 . 67 ASP HB3 H 2.836 0.05 1 605 . 68 HIS H H 8.560 0.05 1 606 . 68 HIS N N 127.698 0.05 1 607 . 68 HIS CA C 54.364 0.05 1 608 . 68 HIS HA H 4.750 0.05 1 609 . 68 HIS C C 175.489 0.05 1 610 . 68 HIS CB C 29.481 0.05 1 611 . 68 HIS HB2 H 1.775 0.05 1 612 . 68 HIS HB3 H 1.775 0.05 1 613 . 68 HIS HD2 H 5.773 0.05 1 614 . 69 ARG H H 8.170 0.05 1 615 . 69 ARG N N 116.118 0.05 1 616 . 69 ARG CA C 61.013 0.05 1 617 . 69 ARG HA H 3.452 0.05 1 618 . 69 ARG C C 180.930 0.05 1 619 . 69 ARG CB C 30.271 0.05 1 620 . 69 ARG HB2 H 1.782 0.05 1 621 . 69 ARG HB3 H 1.782 0.05 1 622 . 69 ARG HG2 H 1.558 0.05 1 623 . 69 ARG HG3 H 1.558 0.05 1 624 . 69 ARG HD2 H 3.046 0.05 1 625 . 69 ARG HD3 H 3.173 0.05 1 626 . 69 ARG NE N 117.488 0.05 1 627 . 69 ARG HE H 7.587 0.05 1 628 . 70 ASP H H 8.553 0.05 1 629 . 70 ASP N N 115.274 0.05 1 630 . 70 ASP CA C 53.932 0.05 1 631 . 70 ASP HA H 4.695 0.05 1 632 . 70 ASP C C 174.906 0.05 1 633 . 70 ASP CB C 40.806 0.05 1 634 . 70 ASP HB2 H 2.570 0.05 1 635 . 70 ASP HB3 H 2.650 0.05 1 636 . 71 GLU H H 8.629 0.05 1 637 . 71 GLU N N 121.173 0.05 1 638 . 71 GLU CA C 55.935 0.05 1 639 . 71 GLU HA H 4.695 0.05 1 640 . 71 GLU C C 174.236 0.05 1 641 . 71 GLU CB C 34.096 0.05 1 642 . 71 GLU HB2 H 2.340 0.05 1 643 . 71 GLU HB3 H 2.340 0.05 1 644 . 71 GLU HG2 H 2.209 0.05 1 645 . 71 GLU HG3 H 2.209 0.05 1 646 . 72 ASP H H 8.477 0.05 1 647 . 72 ASP N N 121.282 0.05 1 648 . 72 ASP CA C 54.536 0.05 1 649 . 72 ASP HA H 4.782 0.05 1 650 . 72 ASP C C 174.215 0.05 1 651 . 72 ASP CB C 42.648 0.05 1 652 . 72 ASP HB2 H 2.340 0.05 1 653 . 72 ASP HB3 H 2.533 0.05 1 654 . 73 PHE H H 7.929 0.05 1 655 . 73 PHE N N 120.670 0.05 1 656 . 73 PHE CA C 59.542 0.05 1 657 . 73 PHE HA H 2.364 0.05 1 658 . 73 PHE C C 173.178 0.05 1 659 . 73 PHE CB C 40.840 0.05 1 660 . 73 PHE HB2 H 1.992 0.05 1 661 . 73 PHE HB3 H 2.178 0.05 1 662 . 73 PHE HD1 H 5.649 0.05 1 663 . 73 PHE HD2 H 5.649 0.05 1 664 . 73 PHE HE1 H 6.945 0.05 1 665 . 73 PHE HE2 H 6.945 0.05 1 666 . 74 VAL H H 5.492 0.05 1 667 . 74 VAL N N 126.501 0.05 1 668 . 74 VAL CA C 60.826 0.05 1 669 . 74 VAL HA H 3.474 0.05 1 670 . 74 VAL C C 172.293 0.05 1 671 . 74 VAL CB C 33.984 0.05 1 672 . 74 VAL HB H 1.444 0.05 1 673 . 74 VAL HG2 H 0.610 0.05 1 674 . 75 LYS H H 7.846 0.05 1 675 . 75 LYS N N 126.565 0.05 1 676 . 75 LYS CA C 54.624 0.05 1 677 . 75 LYS HA H 3.889 0.05 1 678 . 75 LYS C C 173.297 0.05 1 679 . 75 LYS CB C 34.555 0.05 1 680 . 75 LYS HB2 H 1.465 0.05 1 681 . 75 LYS HB3 H 1.465 0.05 1 682 . 75 LYS HG2 H 1.279 0.05 1 683 . 75 LYS HG3 H 1.279 0.05 1 684 . 76 PRO CA C 63.118 0.05 1 685 . 76 PRO C C 175.661 0.05 1 686 . 76 PRO CB C 33.639 0.05 1 687 . 76 PRO HB2 H 0.413 0.05 1 688 . 76 PRO HB3 H 1.216 0.05 1 689 . 76 PRO HG2 H 0.778 0.05 1 690 . 76 PRO HG3 H 0.822 0.05 1 691 . 76 PRO HD2 H 2.973 0.05 1 692 . 76 PRO HD3 H 3.801 0.05 1 693 . 77 LYS H H 8.330 0.05 1 694 . 77 LYS N N 122.015 0.05 1 695 . 77 LYS CA C 56.796 0.05 1 696 . 77 LYS HA H 4.139 0.05 1 697 . 77 LYS C C 176.072 0.05 1 698 . 77 LYS CB C 33.743 0.05 1 699 . 77 LYS HB2 H 1.651 0.05 1 700 . 77 LYS HB3 H 1.651 0.05 1 701 . 78 GLY H H 8.251 0.05 1 702 . 78 GLY N N 109.579 0.05 1 703 . 78 GLY CA C 45.477 0.05 1 704 . 78 GLY HA2 H 3.766 0.05 1 705 . 78 GLY HA3 H 3.766 0.05 1 706 . 78 GLY C C 172.358 0.05 1 707 . 79 ALA CA C 52.642 0.05 1 708 . 79 ALA HA H 4.095 0.05 1 709 . 79 ALA C C 176.050 0.05 1 710 . 79 ALA CB C 20.140 0.05 1 711 . 79 ALA HB H 1.189 0.05 1 712 . 80 PHE CA C 58.353 0.05 1 713 . 80 PHE HA H 4.445 0.05 1 714 . 80 PHE C C 174.236 0.05 1 715 . 80 PHE CB C 40.285 0.05 1 716 . 80 PHE HB2 H 2.933 0.05 1 717 . 80 PHE HB3 H 2.933 0.05 1 718 . 81 LYS H H 8.023 0.05 1 719 . 81 LYS N N 124.070 0.05 1 720 . 81 LYS CA C 56.277 0.05 1 721 . 81 LYS HA H 4.088 0.05 1 722 . 81 LYS C C 174.128 0.05 1 723 . 81 LYS CB C 34.054 0.05 1 724 . 81 LYS HB2 H 1.525 0.05 1 725 . 81 LYS HB3 H 1.525 0.05 1 726 . 82 ALA H H 8.078 0.05 1 727 . 82 ALA N N 125.461 0.05 1 728 . 82 ALA CA C 52.746 0.05 1 729 . 82 ALA HA H 4.101 0.05 1 730 . 82 ALA C C 176.072 0.05 1 731 . 82 ALA CB C 20.243 0.05 1 732 . 82 ALA HB H 1.199 0.05 1 733 . 83 PHE CA C 58.250 0.05 1 734 . 83 PHE HA H 4.578 0.05 1 735 . 83 PHE C C 174.841 0.05 1 736 . 83 PHE CB C 40.181 0.05 1 737 . 83 PHE HB2 H 2.982 0.05 1 738 . 83 PHE HB3 H 2.982 0.05 1 739 . 84 THR H H 8.042 0.05 1 740 . 84 THR N N 115.617 0.05 1 741 . 84 THR CA C 62.092 0.05 1 742 . 84 THR HA H 4.172 0.05 1 743 . 84 THR C C 173.651 0.05 1 744 . 84 THR CB C 70.295 0.05 1 745 . 84 THR HG2 H 1.043 0.05 1 746 . 85 GLY H H 7.696 0.05 1 747 . 85 GLY N N 110.218 0.05 1 748 . 85 GLY CA C 45.789 0.05 1 749 . 85 GLY HA2 H 3.792 0.05 1 750 . 85 GLY HA3 H 3.792 0.05 1 751 . 85 GLY C C 172.941 0.05 1 752 . 86 GLU CA C 57.211 0.05 1 753 . 86 GLU HA H 4.169 0.05 1 754 . 86 GLU C C 176.072 0.05 1 755 . 86 GLU CB C 30.939 0.05 1 756 . 86 GLU HB2 H 1.835 0.05 1 757 . 86 GLU HB3 H 1.951 0.05 1 758 . 87 GLY H H 8.456 0.05 1 759 . 87 GLY N N 109.871 0.05 1 760 . 87 GLY CA C 45.892 0.05 1 761 . 87 GLY HA2 H 3.828 0.05 1 762 . 87 GLY HA3 H 3.828 0.05 1 763 . 87 GLY C C 172.984 0.05 1 764 . 88 GLN H H 8.082 0.05 1 765 . 88 GLN N N 119.692 0.05 1 766 . 88 GLN CA C 56.277 0.05 1 767 . 88 GLN HA H 4.198 0.05 1 768 . 88 GLN C C 174.884 0.05 1 769 . 88 GLN CB C 30.212 0.05 1 770 . 88 GLN HB2 H 1.849 0.05 1 771 . 88 GLN HB3 H 1.943 0.05 1 772 . 89 LYS H H 8.288 0.05 1 773 . 89 LYS N N 122.617 0.05 1 774 . 89 LYS CA C 56.380 0.05 1 775 . 89 LYS HA H 4.198 0.05 1 776 . 89 LYS C C 175.424 0.05 1 777 . 89 LYS CB C 33.535 0.05 1 778 . 89 LYS HB2 H 1.661 0.05 1 779 . 89 LYS HB3 H 1.661 0.05 1 780 . 90 LEU H H 8.250 0.05 1 781 . 90 LEU N N 123.725 0.05 1 782 . 90 LEU CA C 56.069 0.05 1 783 . 90 LEU HA H 4.162 0.05 1 784 . 90 LEU C C 176.719 0.05 1 785 . 90 LEU CB C 42.985 0.05 1 786 . 90 LEU HB2 H 1.835 0.05 1 787 . 90 LEU HB3 H 1.943 0.05 1 788 . 91 GLY H H 8.386 0.05 1 789 . 91 GLY N N 109.934 0.05 1 790 . 91 GLY CA C 45.685 0.05 1 791 . 91 GLY HA2 H 3.811 0.05 1 792 . 91 GLY HA3 H 4.168 0.05 1 793 . 91 GLY C C 173.061 0.05 1 794 . 92 SER H H 8.292 0.05 1 795 . 92 SER N N 115.758 0.05 1 796 . 92 SER CA C 58.665 0.05 1 797 . 92 SER HA H 4.401 0.05 1 798 . 92 SER C C 173.697 0.05 1 799 . 92 SER CB C 64.376 0.05 1 800 . 92 SER HB2 H 3.770 0.05 1 801 . 92 SER HB3 H 3.770 0.05 1 802 . 93 THR CA C 62.196 0.05 1 803 . 93 THR HA H 4.256 0.05 1 804 . 93 THR C C 172.833 0.05 1 805 . 93 THR CB C 70.295 0.05 1 806 . 93 THR HB H 4.125 0.05 1 807 . 93 THR HG2 H 1.087 0.05 1 808 . 94 ALA H H 8.182 0.05 1 809 . 94 ALA N N 127.810 0.05 1 810 . 94 ALA CA C 51.396 0.05 1 811 . 94 ALA HA H 4.480 0.05 1 812 . 94 ALA C C 178.043 0.05 1 813 . 94 ALA CB C 18.582 0.05 1 814 . 94 ALA HB H 1.244 0.05 1 815 . 95 PRO CA C 63.338 0.05 1 816 . 95 PRO HA H 4.299 0.05 1 817 . 95 PRO C C 175.661 0.05 1 818 . 95 PRO CB C 32.497 0.05 1 819 . 95 PRO HB2 H 1.762 0.05 1 820 . 95 PRO HB3 H 2.154 0.05 1 821 . 96 GLN H H 8.378 0.05 1 822 . 96 GLN N N 120.627 0.05 1 823 . 96 GLN CA C 56.277 0.05 1 824 . 96 GLN HA H 4.212 0.05 1 825 . 96 GLN C C 174.798 0.05 1 826 . 96 GLN CB C 30.316 0.05 1 827 . 96 GLN HB2 H 1.893 0.05 1 828 . 96 GLN HB3 H 1.893 0.05 1 829 . 97 VAL CA C 62.820 0.05 1 830 . 97 VAL HA H 3.980 0.05 1 831 . 97 VAL C C 174.647 0.05 1 832 . 97 VAL CB C 33.287 0.05 1 833 . 97 VAL HB H 1.900 0.05 1 834 . 98 LEU H H 8.249 0.05 1 835 . 98 LEU N N 125.744 0.05 1 836 . 98 LEU CA C 55.437 0.05 1 837 . 98 LEU HA H 4.257 0.05 1 838 . 98 LEU C C 175.678 0.05 1 839 . 98 LEU CB C 43.249 0.05 1 840 . 98 LEU HB2 H 1.489 0.05 1 841 . 98 LEU HB3 H 1.489 0.05 1 842 . 98 LEU HD1 H 0.753 0.05 1 843 . 98 LEU HD2 H 0.753 0.05 1 844 . 99 ASN CA C 53.679 0.05 1 845 . 99 ASN HA H 4.691 0.05 1 846 . 99 ASN C C 174.323 0.05 1 847 . 99 ASN CB C 39.381 0.05 1 848 . 99 ASN HB2 H 2.654 0.05 1 849 . 99 ASN HB3 H 2.755 0.05 1 850 . 100 THR H H 8.086 0.05 1 851 . 100 THR N N 114.217 0.05 1 852 . 100 THR CA C 62.234 0.05 1 853 . 100 THR HA H 4.263 0.05 1 854 . 100 THR C C 173.474 0.05 1 855 . 100 THR CB C 70.086 0.05 1 856 . 100 THR HB H 4.205 0.05 1 857 . 100 THR HG2 H 1.087 0.05 1 858 . 101 SER H H 8.212 0.05 1 859 . 101 SER N N 117.916 0.05 1 860 . 101 SER CA C 58.718 0.05 1 861 . 101 SER HA H 4.452 0.05 1 862 . 101 SER C C 172.962 0.05 1 863 . 101 SER CB C 64.578 0.05 1 864 . 101 SER HB2 H 3.763 0.05 1 865 . 101 SER HB3 H 3.763 0.05 1 866 . 102 SER H H 8.365 0.05 1 867 . 102 SER N N 119.221 0.05 1 868 . 102 SER CA C 56.843 0.05 1 869 . 102 SER HA H 4.614 0.05 1 870 . 102 SER CB C 63.875 0.05 1 871 . 102 SER HB2 H 3.811 0.05 1 872 . 102 SER HB3 H 3.811 0.05 1 873 . 103 PRO CA C 65.047 0.05 1 874 . 103 PRO HA H 4.234 0.05 1 875 . 103 PRO C C 177.087 0.05 1 876 . 103 PRO HB2 H 1.878 0.05 1 877 . 103 PRO HB3 H 2.255 0.05 1 878 . 104 ALA CA C 54.382 0.05 1 879 . 104 ALA HA H 4.140 0.05 1 880 . 104 ALA C C 178.166 0.05 1 881 . 104 ALA CB C 19.459 0.05 1 882 . 104 ALA HB H 1.284 0.05 1 883 . 105 GLN H H 7.984 0.05 1 884 . 105 GLN N N 119.132 0.05 1 885 . 105 GLN CA C 58.015 0.05 1 886 . 105 GLN HA H 4.280 0.05 1 887 . 105 GLN C C 176.033 0.05 1 888 . 105 GLN CB C 29.654 0.05 1 889 . 105 GLN HB2 H 2.000 0.05 1 890 . 105 GLN HB3 H 2.270 0.05 1 891 . 106 GLN CA C 57.211 0.05 1 892 . 106 GLN HA H 4.227 0.05 1 893 . 106 GLN C C 179.332 0.05 1 894 . 106 GLN CB C 30.939 0.05 1 895 . 106 GLN HB2 H 2.248 0.05 1 896 . 106 GLN HB3 H 2.248 0.05 1 897 . 107 ALA CA C 54.499 0.05 1 898 . 107 ALA CB C 19.341 0.05 1 899 . 110 GLU CA C 56.140 0.05 1 900 . 110 GLU HA H 4.212 0.05 1 901 . 110 GLU CB C 30.240 0.05 1 902 . 110 GLU HB2 H 1.893 0.05 1 903 . 110 GLU HB3 H 1.893 0.05 1 904 . 111 ALA CA C 52.156 0.05 1 905 . 111 ALA HA H 4.220 0.05 1 906 . 111 ALA C C 178.965 0.05 1 907 . 111 ALA CB C 19.107 0.05 1 908 . 111 ALA HB H 1.400 0.05 1 909 . 112 LYS H H 8.101 0.05 1 910 . 112 LYS N N 120.790 0.05 1 911 . 112 LYS CA C 58.495 0.05 1 912 . 112 LYS HA H 4.102 0.05 1 913 . 112 LYS C C 177.588 0.05 1 914 . 112 LYS CB C 33.012 0.05 1 915 . 112 LYS HB2 H 1.822 0.05 1 916 . 112 LYS HB3 H 1.822 0.05 1 917 . 112 LYS HG2 H 1.374 0.05 1 918 . 112 LYS HG3 H 1.374 0.05 1 919 . 113 ALA CA C 54.482 0.05 1 920 . 113 ALA HA H 4.165 0.05 1 921 . 113 ALA C C 178.598 0.05 1 922 . 113 ALA CB C 20.005 0.05 1 923 . 113 ALA HB H 1.253 0.05 1 924 . 114 SER H H 8.216 0.05 1 925 . 114 SER N N 112.861 0.05 1 926 . 114 SER CA C 60.451 0.05 1 927 . 114 SER HA H 4.403 0.05 1 928 . 114 SER C C 173.848 0.05 1 929 . 114 SER CB C 64.193 0.05 1 930 . 114 SER HB2 H 3.869 0.05 1 931 . 114 SER HB3 H 3.952 0.05 1 932 . 115 SER H H 7.736 0.05 1 933 . 115 SER N N 116.107 0.05 1 934 . 115 SER CA C 61.075 0.05 1 935 . 115 SER HA H 4.258 0.05 1 936 . 115 SER C C 175.467 0.05 1 937 . 115 SER CB C 64.282 0.05 1 938 . 115 SER HB2 H 3.920 0.05 1 939 . 115 SER HB3 H 3.920 0.05 1 940 . 116 SER H H 8.189 0.05 1 941 . 116 SER N N 115.743 0.05 1 942 . 116 SER CA C 60.273 0.05 1 943 . 116 SER HA H 4.331 0.05 1 944 . 116 SER C C 175.618 0.05 1 945 . 116 SER CB C 64.460 0.05 1 946 . 116 SER HB2 H 3.891 0.05 1 947 . 116 SER HB3 H 3.891 0.05 1 948 . 117 ILE H H 7.324 0.05 1 949 . 117 ILE N N 122.141 0.05 1 950 . 117 ILE CA C 60.629 0.05 1 951 . 117 ILE HA H 3.985 0.05 1 952 . 117 ILE C C 173.589 0.05 1 953 . 117 ILE CB C 37.733 0.05 1 954 . 117 ILE HB H 1.714 0.05 1 955 . 117 ILE HG2 H 1.051 0.05 1 956 . 117 ILE HG12 H 1.268 0.05 1 957 . 117 ILE HG13 H 1.268 0.05 1 958 . 117 ILE HD1 H 0.404 0.05 1 959 . 118 LEU H H 8.620 0.05 1 960 . 118 LEU N N 130.377 0.05 1 961 . 118 LEU CA C 55.017 0.05 1 962 . 118 LEU HA H 4.403 0.05 1 963 . 118 LEU C C 174.798 0.05 1 964 . 118 LEU CB C 42.633 0.05 1 965 . 118 LEU HB2 H 1.553 0.05 1 966 . 118 LEU HB3 H 1.553 0.05 1 967 . 118 LEU HD1 H 0.784 0.05 1 968 . 118 LEU HD2 H 0.865 0.05 1 969 . 118 LEU HG H 1.786 0.05 1 970 . 119 ILE H H 8.395 0.05 1 971 . 119 ILE N N 125.868 0.05 1 972 . 119 ILE CA C 59.382 0.05 1 973 . 119 ILE HA H 4.177 0.05 1 974 . 119 ILE C C 174.733 0.05 1 975 . 119 ILE CB C 38.981 0.05 1 976 . 119 ILE HB H 1.775 0.05 1 977 . 119 ILE HG2 H 0.519 0.05 1 978 . 119 ILE HG12 H 2.016 0.05 1 979 . 119 ILE HG13 H 2.910 0.05 1 980 . 119 ILE HD1 H 0.305 0.05 1 981 . 120 ASN H H 9.448 0.05 1 982 . 120 ASN N N 126.488 0.05 1 983 . 120 ASN CA C 52.433 0.05 1 984 . 120 ASN HA H 4.721 0.05 1 985 . 120 ASN C C 176.029 0.05 1 986 . 120 ASN CB C 38.624 0.05 1 987 . 120 ASN HB2 H 2.630 0.05 1 988 . 120 ASN HB3 H 2.821 0.05 1 989 . 120 ASN HD21 H 6.781 0.05 1 990 . 120 ASN HD22 H 7.358 0.05 1 991 . 121 GLU H H 9.040 0.05 1 992 . 121 GLU N N 125.655 0.05 1 993 . 121 GLU CA C 58.936 0.05 1 994 . 121 GLU HA H 3.972 0.05 1 995 . 121 GLU C C 178.965 0.05 1 996 . 121 GLU CB C 29.537 0.05 1 997 . 121 GLU HB2 H 1.805 0.05 1 998 . 121 GLU HB3 H 2.112 0.05 1 999 . 121 GLU HG2 H 2.263 0.05 1 1000 . 121 GLU HG3 H 2.263 0.05 1 1001 . 122 ALA H H 8.006 0.05 1 1002 . 122 ALA N N 119.822 0.05 1 1003 . 122 ALA CA C 52.789 0.05 1 1004 . 122 ALA HA H 4.272 0.05 1 1005 . 122 ALA C C 175.705 0.05 1 1006 . 122 ALA CB C 19.827 0.05 1 1007 . 122 ALA HB H 1.339 0.05 1 1008 . 123 GLU H H 7.310 0.05 1 1009 . 123 GLU N N 119.499 0.05 1 1010 . 123 GLU CA C 53.680 0.05 1 1011 . 123 GLU HA H 4.657 0.05 1 1012 . 123 GLU C C 172.273 0.05 1 1013 . 123 GLU CB C 32.121 0.05 1 1014 . 123 GLU HB2 H 2.147 0.05 1 1015 . 123 GLU HB3 H 2.147 0.05 1 1016 . 123 GLU HG2 H 1.684 0.05 1 1017 . 123 GLU HG3 H 1.684 0.05 1 1018 . 124 PRO CA C 64.279 0.05 1 1019 . 124 PRO HA H 4.174 0.05 1 1020 . 124 PRO C C 176.655 0.05 1 1021 . 124 PRO CB C 31.598 0.05 1 1022 . 124 PRO HB2 H 1.036 0.05 1 1023 . 124 PRO HB3 H 1.659 0.05 1 1024 . 124 PRO HG2 H 2.119 0.05 1 1025 . 124 PRO HG3 H 2.119 0.05 1 1026 . 124 PRO HD2 H 3.454 0.05 1 1027 . 124 PRO HD3 H 3.635 0.05 1 1028 . 125 THR H H 8.347 0.05 1 1029 . 125 THR N N 112.649 0.05 1 1030 . 125 THR CA C 60.184 0.05 1 1031 . 125 THR HA H 5.356 0.05 1 1032 . 125 THR C C 172.617 0.05 1 1033 . 125 THR CB C 73.458 0.05 1 1034 . 125 THR HB H 4.028 0.05 1 1035 . 125 THR HG2 H 1.045 0.05 1 1036 . 126 THR H H 9.431 0.05 1 1037 . 126 THR N N 115.464 0.05 1 1038 . 126 THR CA C 60.629 0.05 1 1039 . 126 THR HA H 4.720 0.05 1 1040 . 126 THR CB C 70.785 0.05 1 1041 . 126 THR HB H 3.925 0.05 1 1042 . 126 THR HG2 H 0.967 0.05 1 1043 . 127 ASN H H 8.060 0.05 1 1044 . 127 ASN N N 123.764 0.05 1 1045 . 127 ASN CA C 53.413 0.05 1 1046 . 127 ASN HA H 5.145 0.05 1 1047 . 127 ASN C C 172.790 0.05 1 1048 . 127 ASN CB C 41.030 0.05 1 1049 . 127 ASN HB2 H 2.262 0.05 1 1050 . 127 ASN HB3 H 2.642 0.05 1 1051 . 128 ILE H H 8.484 0.05 1 1052 . 128 ILE N N 123.995 0.05 1 1053 . 128 ILE CA C 58.313 0.05 1 1054 . 128 ILE HA H 4.527 0.05 1 1055 . 128 ILE C C 174.258 0.05 1 1056 . 128 ILE CB C 40.228 0.05 1 1057 . 128 ILE HB H 2.182 0.05 1 1058 . 128 ILE HG2 H 0.711 0.05 1 1059 . 128 ILE HG12 H 1.532 0.05 1 1060 . 128 ILE HG13 H 1.532 0.05 1 1061 . 128 ILE HD1 H 0.981 0.05 1 1062 . 129 GLN H H 8.013 0.05 1 1063 . 129 GLN N N 124.688 0.05 1 1064 . 129 GLN CA C 54.749 0.05 1 1065 . 129 GLN HA H 5.039 0.05 1 1066 . 129 GLN C C 172.790 0.05 1 1067 . 129 GLN CB C 31.943 0.05 1 1068 . 129 GLN HB2 H 1.950 0.05 1 1069 . 129 GLN HB3 H 2.047 0.05 1 1070 . 129 GLN HG2 H 2.323 0.05 1 1071 . 129 GLN HG3 H 2.323 0.05 1 1072 . 130 ILE H H 9.373 0.05 1 1073 . 130 ILE N N 124.321 0.05 1 1074 . 130 ILE CA C 60.629 0.05 1 1075 . 130 ILE HA H 4.863 0.05 1 1076 . 130 ILE C C 174.366 0.05 1 1077 . 130 ILE CB C 41.831 0.05 1 1078 . 130 ILE HB H 1.657 0.05 1 1079 . 130 ILE HG2 H 0.555 0.05 1 1080 . 130 ILE HG12 H 1.480 0.05 1 1081 . 130 ILE HG13 H 1.480 0.05 1 1082 . 130 ILE HD1 H 0.879 0.05 1 1083 . 131 ARG H H 9.165 0.05 1 1084 . 131 ARG N N 127.411 0.05 1 1085 . 131 ARG CA C 55.284 0.05 1 1086 . 131 ARG HA H 4.725 0.05 1 1087 . 131 ARG C C 174.104 0.05 1 1088 . 131 ARG CB C 30.517 0.05 1 1089 . 131 ARG HB2 H 1.707 0.05 1 1090 . 131 ARG HB3 H 1.890 0.05 1 1091 . 131 ARG HG2 H 1.398 0.05 1 1092 . 131 ARG HG3 H 1.544 0.05 1 1093 . 132 LEU CA C 54.927 0.05 1 1094 . 132 LEU HA H 4.214 0.05 1 1095 . 132 LEU C C 178.123 0.05 1 1096 . 132 LEU CB C 44.059 0.05 1 1097 . 132 LEU HB2 H 1.340 0.05 1 1098 . 132 LEU HB3 H 1.776 0.05 1 1099 . 132 LEU HD1 H 0.427 0.05 1 1100 . 132 LEU HD2 H 0.427 0.05 1 1101 . 132 LEU HG H 0.670 0.05 1 1102 . 133 ALA H H 9.089 0.05 1 1103 . 133 ALA N N 123.916 0.05 1 1104 . 133 ALA CA C 54.927 0.05 1 1105 . 133 ALA HA H 4.158 0.05 1 1106 . 133 ALA C C 176.460 0.05 1 1107 . 133 ALA CB C 19.203 0.05 1 1108 . 133 ALA HB H 1.200 0.05 1 1109 . 134 ASP H H 7.341 0.05 1 1110 . 134 ASP N N 113.807 0.05 1 1111 . 134 ASP HA H 4.429 0.05 1 1112 . 134 ASP C C 175.726 0.05 1 1113 . 134 ASP HB2 H 2.345 0.05 1 1114 . 134 ASP HB3 H 2.983 0.05 1 1115 . 135 GLY H H 7.730 0.05 1 1116 . 135 GLY N N 108.017 0.05 1 1117 . 135 GLY CA C 45.484 0.05 1 1118 . 135 GLY HA2 H 3.588 0.05 1 1119 . 135 GLY HA3 H 3.588 0.05 1 1120 . 135 GLY C C 174.236 0.05 1 1121 . 136 GLY H H 8.383 0.05 1 1122 . 136 GLY N N 109.148 0.05 1 1123 . 136 GLY CA C 45.840 0.05 1 1124 . 136 GLY HA2 H 3.695 0.05 1 1125 . 136 GLY HA3 H 3.695 0.05 1 1126 . 136 GLY C C 171.132 0.05 1 1127 . 137 ARG H H 8.380 0.05 1 1128 . 137 ARG N N 120.821 0.05 1 1129 . 137 ARG CA C 55.373 0.05 1 1130 . 137 ARG HA H 5.383 0.05 1 1131 . 137 ARG C C 174.020 0.05 1 1132 . 137 ARG CB C 33.992 0.05 1 1133 . 137 ARG HB2 H 1.669 0.05 1 1134 . 137 ARG HB3 H 1.669 0.05 1 1135 . 137 ARG HG2 H 1.407 0.05 1 1136 . 137 ARG HG3 H 1.553 0.05 1 1137 . 137 ARG HD2 H 3.062 0.05 1 1138 . 137 ARG HD3 H 3.062 0.05 1 1139 . 138 LEU H H 8.727 0.05 1 1140 . 138 LEU N N 123.027 0.05 1 1141 . 138 LEU CA C 54.215 0.05 1 1142 . 138 LEU HA H 4.875 0.05 1 1143 . 138 LEU C C 174.258 0.05 1 1144 . 138 LEU CB C 47.088 0.05 1 1145 . 138 LEU HB2 H 1.635 0.05 1 1146 . 138 LEU HB3 H 1.635 0.05 1 1147 . 138 LEU HD1 H 0.857 0.05 1 1148 . 138 LEU HD2 H 0.857 0.05 1 1149 . 138 LEU HG H 1.443 0.05 1 1150 . 139 VAL H H 8.599 0.05 1 1151 . 139 VAL N N 121.549 0.05 1 1152 . 139 VAL CA C 61.787 0.05 1 1153 . 139 VAL HA H 4.948 0.05 1 1154 . 139 VAL C C 173.329 0.05 1 1155 . 139 VAL CB C 34.348 0.05 1 1156 . 139 VAL HB H 1.847 0.05 1 1157 . 139 VAL HG1 H 0.720 0.05 1 1158 . 139 VAL HG2 H 0.794 0.05 1 1159 . 140 GLN H H 8.576 0.05 1 1160 . 140 GLN N N 127.914 0.05 1 1161 . 140 GLN CA C 54.393 0.05 1 1162 . 140 GLN HA H 4.218 0.05 1 1163 . 140 GLN C C 171.149 0.05 1 1164 . 140 GLN CB C 32.744 0.05 1 1165 . 140 GLN HB2 H 1.534 0.05 1 1166 . 140 GLN HB3 H 1.534 0.05 1 1167 . 140 GLN HG2 H 2.272 0.05 1 1168 . 140 GLN HG3 H 2.272 0.05 1 1169 . 141 LYS H H 7.563 0.05 1 1170 . 141 LYS N N 127.489 0.05 1 1171 . 141 LYS CA C 56.620 0.05 1 1172 . 141 LYS HA H 5.015 0.05 1 1173 . 141 LYS C C 173.277 0.05 1 1174 . 141 LYS CB C 34.437 0.05 1 1175 . 141 LYS HB2 H 1.523 0.05 1 1176 . 141 LYS HB3 H 1.523 0.05 1 1177 . 141 LYS HG2 H 1.357 0.05 1 1178 . 141 LYS HG3 H 1.357 0.05 1 1179 . 141 LYS HD2 H 1.168 0.05 1 1180 . 141 LYS HD3 H 1.168 0.05 1 1181 . 142 PHE H H 8.640 0.05 1 1182 . 142 PHE N N 119.059 0.05 1 1183 . 142 PHE CA C 57.244 0.05 1 1184 . 142 PHE HA H 4.504 0.05 1 1185 . 142 PHE C C 176.115 0.05 1 1186 . 142 PHE CB C 45.930 0.05 1 1187 . 142 PHE HB2 H 3.451 0.05 1 1188 . 142 PHE HB3 H 3.451 0.05 1 1189 . 142 PHE HD1 H 6.595 0.05 1 1190 . 142 PHE HD2 H 6.595 0.05 1 1191 . 142 PHE HE1 H 6.534 0.05 1 1192 . 142 PHE HE2 H 6.534 0.05 1 1193 . 142 PHE HZ H 6.354 0.05 1 1194 . 143 ASN H H 7.931 0.05 1 1195 . 143 ASN N N 119.903 0.05 1 1196 . 143 ASN CA C 58.669 0.05 1 1197 . 143 ASN HA H 5.453 0.05 1 1198 . 143 ASN C C 173.277 0.05 1 1199 . 143 ASN CB C 42.099 0.05 1 1200 . 143 ASN HB2 H 2.641 0.05 1 1201 . 143 ASN HB3 H 3.204 0.05 1 1202 . 144 HIS H H 7.844 0.05 1 1203 . 144 HIS N N 119.065 0.05 1 1204 . 144 HIS CA C 59.471 0.05 1 1205 . 144 HIS HA H 4.095 0.05 1 1206 . 144 HIS C C 173.653 0.05 1 1207 . 144 HIS CB C 32.655 0.05 1 1208 . 144 HIS HB2 H 3.009 0.05 1 1209 . 144 HIS HB3 H 3.151 0.05 1 1210 . 144 HIS HD2 H 6.190 0.05 1 1211 . 144 HIS HE1 H 7.726 0.05 1 1212 . 145 SER H H 7.549 0.05 1 1213 . 145 SER N N 104.822 0.05 1 1214 . 145 SER CA C 59.026 0.05 1 1215 . 145 SER HA H 4.280 0.05 1 1216 . 145 SER C C 175.618 0.05 1 1217 . 145 SER CB C 63.925 0.05 1 1218 . 145 SER HB2 H 3.730 0.05 1 1219 . 145 SER HB3 H 4.019 0.05 1 1220 . 146 HIS H H 7.332 0.05 1 1221 . 146 HIS N N 121.573 0.05 1 1222 . 146 HIS CA C 63.213 0.05 1 1223 . 146 HIS HA H 4.440 0.05 1 1224 . 146 HIS C C 172.811 0.05 1 1225 . 146 HIS CB C 32.477 0.05 1 1226 . 146 HIS HB2 H 3.225 0.05 1 1227 . 146 HIS HB3 H 3.340 0.05 1 1228 . 146 HIS HD2 H 7.283 0.05 1 1229 . 146 HIS HE1 H 7.786 0.05 1 1230 . 147 ARG H H 9.722 0.05 1 1231 . 147 ARG N N 117.665 0.05 1 1232 . 147 ARG CA C 54.927 0.05 1 1233 . 147 ARG HA H 5.060 0.05 1 1234 . 147 ARG C C 177.704 0.05 1 1235 . 147 ARG CB C 33.814 0.05 1 1236 . 147 ARG HB2 H 1.603 0.05 1 1237 . 147 ARG HB3 H 1.904 0.05 1 1238 . 147 ARG HG2 H 1.199 0.05 1 1239 . 147 ARG HG3 H 1.370 0.05 1 1240 . 147 ARG HD2 H 1.199 0.05 1 1241 . 147 ARG HD3 H 1.199 0.05 1 1242 . 148 ILE H H 8.130 0.05 1 1243 . 148 ILE N N 122.803 0.05 1 1244 . 148 ILE CA C 66.331 0.05 1 1245 . 148 ILE HA H 3.282 0.05 1 1246 . 148 ILE C C 177.911 0.05 1 1247 . 148 ILE CB C 37.288 0.05 1 1248 . 148 ILE HB H 1.858 0.05 1 1249 . 148 ILE HG2 H 0.759 0.05 1 1250 . 148 ILE HG12 H 1.082 0.05 1 1251 . 148 ILE HG13 H 2.121 0.05 1 1252 . 148 ILE HD1 H 0.252 0.05 1 1253 . 149 SER H H 8.693 0.05 1 1254 . 149 SER N N 114.108 0.05 1 1255 . 149 SER CA C 60.896 0.05 1 1256 . 149 SER HA H 4.454 0.05 1 1257 . 149 SER C C 175.795 0.05 1 1258 . 149 SER CB C 62.767 0.05 1 1259 . 149 SER HB2 H 3.788 0.05 1 1260 . 149 SER HB3 H 3.788 0.05 1 1261 . 150 ASP H H 7.699 0.05 1 1262 . 150 ASP N N 122.133 0.05 1 1263 . 150 ASP CA C 59.204 0.05 1 1264 . 150 ASP HA H 4.685 0.05 1 1265 . 150 ASP C C 177.405 0.05 1 1266 . 150 ASP CB C 41.475 0.05 1 1267 . 150 ASP HB2 H 2.663 0.05 1 1268 . 150 ASP HB3 H 3.179 0.05 1 1269 . 151 ILE H H 7.569 0.05 1 1270 . 151 ILE N N 121.317 0.05 1 1271 . 151 ILE CA C 65.796 0.05 1 1272 . 151 ILE HA H 3.641 0.05 1 1273 . 151 ILE C C 176.752 0.05 1 1274 . 151 ILE CB C 36.843 0.05 1 1275 . 151 ILE HB H 2.136 0.05 1 1276 . 151 ILE HG2 H 1.034 0.05 1 1277 . 151 ILE HG12 H 1.652 0.05 1 1278 . 151 ILE HG13 H 1.652 0.05 1 1279 . 151 ILE HD1 H 0.762 0.05 1 1280 . 152 ARG H H 7.270 0.05 1 1281 . 152 ARG N N 119.296 0.05 1 1282 . 152 ARG CA C 61.787 0.05 1 1283 . 152 ARG HA H 3.818 0.05 1 1284 . 152 ARG C C 178.348 0.05 1 1285 . 152 ARG CB C 30.428 0.05 1 1286 . 152 ARG HB2 H 1.995 0.05 1 1287 . 152 ARG HB3 H 1.995 0.05 1 1288 . 152 ARG HG2 H 1.431 0.05 1 1289 . 152 ARG HG3 H 1.786 0.05 1 1290 . 152 ARG HD2 H 1.431 0.05 1 1291 . 152 ARG HD3 H 1.431 0.05 1 1292 . 153 LEU H H 7.858 0.05 1 1293 . 153 LEU N N 116.797 0.05 1 1294 . 153 LEU CA C 58.758 0.05 1 1295 . 153 LEU HA H 3.949 0.05 1 1296 . 153 LEU C C 177.359 0.05 1 1297 . 153 LEU CB C 41.921 0.05 1 1298 . 153 LEU HB2 H 1.770 0.05 1 1299 . 153 LEU HB3 H 1.770 0.05 1 1300 . 153 LEU HD1 H 0.836 0.05 1 1301 . 153 LEU HD2 H 0.922 0.05 1 1302 . 153 LEU HG H 1.865 0.05 1 1303 . 154 PHE H H 7.813 0.05 1 1304 . 154 PHE N N 119.481 0.05 1 1305 . 154 PHE CA C 61.698 0.05 1 1306 . 154 PHE HA H 4.423 0.05 1 1307 . 154 PHE C C 175.335 0.05 1 1308 . 154 PHE CB C 39.872 0.05 1 1309 . 154 PHE HB2 H 3.335 0.05 1 1310 . 154 PHE HB3 H 3.400 0.05 1 1311 . 154 PHE HD1 H 7.025 0.05 1 1312 . 154 PHE HD2 H 7.025 0.05 1 1313 . 154 PHE HE1 H 6.974 0.05 1 1314 . 154 PHE HE2 H 6.974 0.05 1 1315 . 154 PHE HZ H 7.235 0.05 1 1316 . 155 ILE H H 8.110 0.05 1 1317 . 155 ILE N N 118.623 0.05 1 1318 . 155 ILE CA C 66.954 0.05 1 1319 . 155 ILE HA H 4.196 0.05 1 1320 . 155 ILE C C 175.427 0.05 1 1321 . 155 ILE CB C 38.802 0.05 1 1322 . 155 ILE HB H 1.990 0.05 1 1323 . 155 ILE HG2 H 1.375 0.05 1 1324 . 155 ILE HG12 H 1.413 0.05 1 1325 . 155 ILE HG13 H 1.550 0.05 1 1326 . 155 ILE HD1 H 0.512 0.05 1 1327 . 156 VAL H H 7.640 0.05 1 1328 . 156 VAL N N 115.095 0.05 1 1329 . 156 VAL CA C 66.064 0.05 1 1330 . 156 VAL HA H 4.125 0.05 1 1331 . 156 VAL C C 176.497 0.05 1 1332 . 156 VAL CB C 31.943 0.05 1 1333 . 156 VAL HB H 1.997 0.05 1 1334 . 156 VAL HG1 H 1.176 0.05 1 1335 . 156 VAL HG2 H 1.176 0.05 1 1336 . 157 ASP H H 7.840 0.05 1 1337 . 157 ASP N N 119.720 0.05 1 1338 . 157 ASP CA C 56.977 0.05 1 1339 . 157 ASP HA H 4.298 0.05 1 1340 . 157 ASP CB C 40.941 0.05 1 1341 . 157 ASP HB2 H 2.350 0.05 1 1342 . 157 ASP HB3 H 2.655 0.05 1 1343 . 158 ALA H H 7.960 0.05 1 1344 . 158 ALA N N 119.940 0.05 1 1345 . 158 ALA CA C 54.482 0.05 1 1346 . 158 ALA HA H 3.702 0.05 1 1347 . 158 ALA C C 177.635 0.05 1 1348 . 158 ALA CB C 19.470 0.05 1 1349 . 158 ALA HB H 0.853 0.05 1 1350 . 159 ARG H H 7.990 0.05 1 1351 . 159 ARG N N 118.178 0.05 1 1352 . 159 ARG CA C 57.511 0.05 1 1353 . 159 ARG HA H 4.640 0.05 1 1354 . 159 ARG C C 171.542 0.05 1 1355 . 159 ARG CB C 29.805 0.05 1 1356 . 159 ARG HB2 H 1.879 0.05 1 1357 . 159 ARG HB3 H 2.162 0.05 1 1358 . 159 ARG HG2 H 1.640 0.05 1 1359 . 159 ARG HG3 H 1.640 0.05 1 1360 . 159 ARG HD2 H 3.296 0.05 1 1361 . 159 ARG HD3 H 3.461 0.05 1 1362 . 160 PRO CA C 65.796 0.05 1 1363 . 160 PRO HA H 4.601 0.05 1 1364 . 160 PRO C C 174.921 0.05 1 1365 . 160 PRO CB C 32.210 0.05 1 1366 . 160 PRO HB2 H 2.365 0.05 1 1367 . 160 PRO HB3 H 2.365 0.05 1 1368 . 160 PRO HG2 H 2.014 0.05 1 1369 . 160 PRO HG3 H 2.091 0.05 1 1370 . 160 PRO HD2 H 3.728 0.05 1 1371 . 160 PRO HD3 H 3.897 0.05 1 1372 . 161 ALA H H 8.460 0.05 1 1373 . 161 ALA N N 119.940 0.05 1 1374 . 161 ALA CA C 54.927 0.05 1 1375 . 161 ALA HA H 4.186 0.05 1 1376 . 161 ALA C C 178.854 0.05 1 1377 . 161 ALA CB C 19.114 0.05 1 1378 . 161 ALA HB H 1.325 0.05 1 1379 . 162 MET H H 8.775 0.05 1 1380 . 162 MET N N 115.476 0.05 1 1381 . 162 MET CA C 56.798 0.05 1 1382 . 162 MET HA H 4.507 0.05 1 1383 . 162 MET C C 175.887 0.05 1 1384 . 162 MET CB C 32.834 0.05 1 1385 . 162 MET HB2 H 2.119 0.05 1 1386 . 162 MET HB3 H 2.119 0.05 1 1387 . 162 MET HG2 H 2.365 0.05 1 1388 . 162 MET HG3 H 2.483 0.05 1 1389 . 162 MET HE H 1.941 0.05 1 1390 . 163 ALA H H 7.655 0.05 1 1391 . 163 ALA N N 121.682 0.05 1 1392 . 163 ALA CA C 55.818 0.05 1 1393 . 163 ALA HA H 4.033 0.05 1 1394 . 163 ALA C C 176.761 0.05 1 1395 . 163 ALA CB C 19.470 0.05 1 1396 . 163 ALA HB H 1.453 0.05 1 1397 . 164 ALA H H 7.831 0.05 1 1398 . 164 ALA N N 117.918 0.05 1 1399 . 164 ALA CA C 52.166 0.05 1 1400 . 164 ALA HA H 4.508 0.05 1 1401 . 164 ALA C C 175.703 0.05 1 1402 . 164 ALA CB C 19.827 0.05 1 1403 . 164 ALA HB H 1.335 0.05 1 1404 . 165 THR H H 7.330 0.05 1 1405 . 165 THR N N 115.446 0.05 1 1406 . 165 THR CA C 62.055 0.05 1 1407 . 165 THR HA H 4.378 0.05 1 1408 . 165 THR C C 172.552 0.05 1 1409 . 165 THR CB C 71.053 0.05 1 1410 . 165 THR HB H 4.069 0.05 1 1411 . 165 THR HG2 H 1.189 0.05 1 1412 . 166 SER H H 8.647 0.05 1 1413 . 166 SER N N 121.522 0.05 1 1414 . 166 SER CA C 58.936 0.05 1 1415 . 166 SER HA H 4.574 0.05 1 1416 . 166 SER C C 173.589 0.05 1 1417 . 166 SER CB C 64.015 0.05 1 1418 . 166 SER HB2 H 3.729 0.05 1 1419 . 166 SER HB3 H 3.729 0.05 1 1420 . 167 PHE H H 8.656 0.05 1 1421 . 167 PHE N N 120.406 0.05 1 1422 . 167 PHE CA C 57.244 0.05 1 1423 . 167 PHE HA H 5.478 0.05 1 1424 . 167 PHE C C 172.322 0.05 1 1425 . 167 PHE CB C 42.188 0.05 1 1426 . 167 PHE HB2 H 2.897 0.05 1 1427 . 167 PHE HB3 H 3.081 0.05 1 1428 . 167 PHE HD1 H 7.053 0.05 1 1429 . 167 PHE HD2 H 7.053 0.05 1 1430 . 167 PHE HE1 H 7.053 0.05 1 1431 . 167 PHE HE2 H 7.053 0.05 1 1432 . 167 PHE HZ H 7.053 0.05 1 1433 . 168 VAL H H 9.246 0.05 1 1434 . 168 VAL N N 116.038 0.05 1 1435 . 168 VAL CA C 60.184 0.05 1 1436 . 168 VAL HA H 4.324 0.05 1 1437 . 168 VAL C C 172.161 0.05 1 1438 . 168 VAL CB C 36.130 0.05 1 1439 . 168 VAL HB H 2.124 0.05 1 1440 . 168 VAL HG1 H 0.752 0.05 1 1441 . 168 VAL HG2 H 0.812 0.05 1 1442 . 169 LEU H H 9.185 0.05 1 1443 . 169 LEU N N 122.461 0.05 1 1444 . 169 LEU CA C 53.858 0.05 1 1445 . 169 LEU HA H 5.199 0.05 1 1446 . 169 LEU C C 174.162 0.05 1 1447 . 169 LEU CB C 44.148 0.05 1 1448 . 169 LEU HB2 H 1.076 0.05 1 1449 . 169 LEU HB3 H 1.844 0.05 1 1450 . 169 LEU HD1 H 0.740 0.05 1 1451 . 169 LEU HD2 H 0.740 0.05 1 1452 . 169 LEU HG H 1.618 0.05 1 1453 . 170 MET H H 8.893 0.05 1 1454 . 170 MET N N 118.136 0.05 1 1455 . 170 MET CA C 54.571 0.05 1 1456 . 170 MET HA H 5.312 0.05 1 1457 . 170 MET C C 174.783 0.05 1 1458 . 170 MET CB C 37.377 0.05 1 1459 . 170 MET HB2 H 1.855 0.05 1 1460 . 170 MET HB3 H 1.989 0.05 1 1461 . 170 MET HG2 H 2.245 0.05 1 1462 . 170 MET HG3 H 2.245 0.05 1 1463 . 170 MET HE H 1.566 0.05 1 1464 . 171 THR H H 8.556 0.05 1 1465 . 171 THR N N 110.061 0.05 1 1466 . 171 THR CA C 61.609 0.05 1 1467 . 171 THR HA H 4.854 0.05 1 1468 . 171 THR C C 173.626 0.05 1 1469 . 171 THR CB C 70.874 0.05 1 1470 . 171 THR HB H 4.446 0.05 1 1471 . 171 THR HG2 H 1.185 0.05 1 1472 . 172 THR H H 8.340 0.05 1 1473 . 172 THR N N 110.030 0.05 1 1474 . 172 THR CA C 62.233 0.05 1 1475 . 172 THR HA H 4.324 0.05 1 1476 . 172 THR C C 173.173 0.05 1 1477 . 172 THR CB C 70.429 0.05 1 1478 . 172 THR HB H 3.928 0.05 1 1479 . 172 THR HG2 H 0.930 0.05 1 1480 . 173 PHE H H 7.575 0.05 1 1481 . 173 PHE N N 117.357 0.05 1 1482 . 173 PHE CA C 57.600 0.05 1 1483 . 173 PHE HA H 4.361 0.05 1 1484 . 173 PHE C C 172.422 0.05 1 1485 . 173 PHE CB C 40.050 0.05 1 1486 . 173 PHE HB2 H 3.004 0.05 1 1487 . 173 PHE HB3 H 3.580 0.05 1 1488 . 173 PHE HD1 H 7.213 0.05 1 1489 . 173 PHE HD2 H 7.213 0.05 1 1490 . 174 PRO CA C 65.796 0.05 1 1491 . 174 PRO HA H 3.941 0.05 1 1492 . 174 PRO CB C 32.210 0.05 1 1493 . 174 PRO HB2 H 1.705 0.05 1 1494 . 174 PRO HB3 H 1.864 0.05 1 1495 . 174 PRO HG2 H 1.389 0.05 1 1496 . 174 PRO HG3 H 1.533 0.05 1 1497 . 174 PRO HD2 H 2.988 0.05 1 1498 . 174 PRO HD3 H 3.402 0.05 1 1499 . 175 ASN H H 8.460 0.05 1 1500 . 175 ASN N N 120.160 0.05 1 1501 . 175 ASN CA C 54.393 0.05 1 1502 . 175 ASN HA H 4.748 0.05 1 1503 . 175 ASN C C 173.978 0.05 1 1504 . 175 ASN CB C 38.624 0.05 1 1505 . 175 ASN HB2 H 2.607 0.05 1 1506 . 175 ASN HB3 H 2.607 0.05 1 1507 . 176 LYS H H 7.875 0.05 1 1508 . 176 LYS N N 126.016 0.05 1 1509 . 176 LYS CA C 56.531 0.05 1 1510 . 176 LYS HA H 4.362 0.05 1 1511 . 176 LYS C C 173.173 0.05 1 1512 . 176 LYS CB C 35.863 0.05 1 1513 . 176 LYS HB2 H 1.494 0.05 1 1514 . 176 LYS HB3 H 1.661 0.05 1 1515 . 177 GLU H H 8.686 0.05 1 1516 . 177 GLU N N 124.582 0.05 1 1517 . 177 GLU CA C 57.422 0.05 1 1518 . 177 GLU HA H 4.337 0.05 1 1519 . 177 GLU C C 175.473 0.05 1 1520 . 177 GLU CB C 30.963 0.05 1 1521 . 177 GLU HB2 H 1.872 0.05 1 1522 . 177 GLU HB3 H 1.872 0.05 1 1523 . 177 GLU HG2 H 2.143 0.05 1 1524 . 177 GLU HG3 H 2.143 0.05 1 1525 . 178 LEU H H 8.783 0.05 1 1526 . 178 LEU N N 127.947 0.05 1 1527 . 178 LEU CA C 54.215 0.05 1 1528 . 178 LEU HA H 4.417 0.05 1 1529 . 178 LEU C C 174.162 0.05 1 1530 . 178 LEU CB C 39.337 0.05 1 1531 . 178 LEU HB2 H 1.255 0.05 1 1532 . 178 LEU HB3 H 1.779 0.05 1 1533 . 178 LEU HD1 H 0.784 0.05 1 1534 . 178 LEU HD2 H 0.784 0.05 1 1535 . 178 LEU HG H 1.544 0.05 1 1536 . 179 ALA H H 7.479 0.05 1 1537 . 179 ALA N N 124.661 0.05 1 1538 . 179 ALA CA C 54.215 0.05 1 1539 . 179 ALA HA H 4.279 0.05 1 1540 . 179 ALA C C 176.646 0.05 1 1541 . 179 ALA CB C 20.450 0.05 1 1542 . 179 ALA HB H 1.273 0.05 1 1543 . 180 ASP H H 8.071 0.05 1 1544 . 180 ASP N N 116.729 0.05 1 1545 . 180 ASP CA C 52.789 0.05 1 1546 . 180 ASP HA H 4.769 0.05 1 1547 . 180 ASP C C 176.071 0.05 1 1548 . 180 ASP CB C 40.584 0.05 1 1549 . 180 ASP HB2 H 2.410 0.05 1 1550 . 180 ASP HB3 H 2.777 0.05 1 1551 . 181 GLU H H 8.688 0.05 1 1552 . 181 GLU N N 122.106 0.05 1 1553 . 181 GLU CA C 58.580 0.05 1 1554 . 181 GLU HA H 4.633 0.05 1 1555 . 181 GLU C C 173.909 0.05 1 1556 . 181 GLU CB C 28.290 0.05 1 1557 . 181 GLU HB2 H 1.700 0.05 1 1558 . 181 GLU HB3 H 1.945 0.05 1 1559 . 182 ASN H H 8.191 0.05 1 1560 . 182 ASN N N 115.129 0.05 1 1561 . 182 ASN CA C 54.215 0.05 1 1562 . 182 ASN HA H 4.726 0.05 1 1563 . 182 ASN C C 174.392 0.05 1 1564 . 182 ASN CB C 39.693 0.05 1 1565 . 182 ASN HB2 H 2.794 0.05 1 1566 . 182 ASN HB3 H 2.794 0.05 1 1567 . 183 GLN H H 6.830 0.05 1 1568 . 183 GLN N N 117.077 0.05 1 1569 . 183 GLN CA C 57.244 0.05 1 1570 . 183 GLN HA H 4.228 0.05 1 1571 . 183 GLN C C 175.059 0.05 1 1572 . 183 GLN CB C 31.675 0.05 1 1573 . 183 GLN HB2 H 1.874 0.05 1 1574 . 183 GLN HB3 H 1.874 0.05 1 1575 . 183 GLN HG2 H 2.287 0.05 1 1576 . 183 GLN HG3 H 2.287 0.05 1 1577 . 184 THR H H 8.584 0.05 1 1578 . 184 THR N N 110.498 0.05 1 1579 . 184 THR CA C 61.431 0.05 1 1580 . 184 THR HA H 4.920 0.05 1 1581 . 184 THR C C 174.409 0.05 1 1582 . 184 THR CB C 71.409 0.05 1 1583 . 184 THR HB H 4.282 0.05 1 1584 . 184 THR HG2 H 1.196 0.05 1 1585 . 185 LEU H H 8.650 0.05 1 1586 . 185 LEU N N 119.059 0.05 1 1587 . 185 LEU CA C 59.204 0.05 1 1588 . 185 LEU HA H 3.652 0.05 1 1589 . 185 LEU C C 178.003 0.05 1 1590 . 185 LEU CB C 40.852 0.05 1 1591 . 185 LEU HB2 H 1.035 0.05 1 1592 . 185 LEU HB3 H 1.186 0.05 1 1593 . 185 LEU HD1 H 0.340 0.05 1 1594 . 185 LEU HD2 H 0.494 0.05 1 1595 . 185 LEU HG H 1.513 0.05 1 1596 . 186 LYS H H 7.640 0.05 1 1597 . 186 LYS N N 115.315 0.05 1 1598 . 186 LYS CA C 59.916 0.05 1 1599 . 186 LYS HA H 3.738 0.05 1 1600 . 186 LYS C C 178.601 0.05 1 1601 . 186 LYS CB C 33.814 0.05 1 1602 . 186 LYS HB2 H 1.587 0.05 1 1603 . 186 LYS HB3 H 1.714 0.05 1 1604 . 186 LYS HG2 H 1.268 0.05 1 1605 . 186 LYS HG3 H 1.353 0.05 1 1606 . 186 LYS HE2 H 2.889 0.05 1 1607 . 186 LYS HE3 H 2.889 0.05 1 1608 . 187 GLU H H 8.030 0.05 1 1609 . 187 GLU N N 122.142 0.05 1 1610 . 187 GLU CA C 59.560 0.05 1 1611 . 187 GLU HA H 3.842 0.05 1 1612 . 187 GLU C C 176.715 0.05 1 1613 . 187 GLU CB C 30.250 0.05 1 1614 . 187 GLU HB2 H 1.876 0.05 1 1615 . 187 GLU HB3 H 2.178 0.05 1 1616 . 187 GLU HG2 H 2.272 0.05 1 1617 . 187 GLU HG3 H 2.272 0.05 1 1618 . 188 ALA H H 7.990 0.05 1 1619 . 188 ALA N N 118.178 0.05 1 1620 . 188 ALA CA C 52.433 0.05 1 1621 . 188 ALA HA H 4.203 0.05 1 1622 . 188 ALA C C 174.599 0.05 1 1623 . 188 ALA CB C 20.005 0.05 1 1624 . 188 ALA HB H 1.211 0.05 1 1625 . 189 ASN H H 7.703 0.05 1 1626 . 189 ASN N N 115.037 0.05 1 1627 . 189 ASN CA C 54.838 0.05 1 1628 . 189 ASN HA H 4.259 0.05 1 1629 . 189 ASN C C 174.553 0.05 1 1630 . 189 ASN CB C 37.288 0.05 1 1631 . 189 ASN HB2 H 2.637 0.05 1 1632 . 189 ASN HB3 H 3.116 0.05 1 1633 . 190 LEU H H 8.236 0.05 1 1634 . 190 LEU N N 117.411 0.05 1 1635 . 190 LEU CA C 54.037 0.05 1 1636 . 190 LEU HA H 4.355 0.05 1 1637 . 190 LEU C C 173.564 0.05 1 1638 . 190 LEU CB C 42.544 0.05 1 1639 . 190 LEU HB2 H 1.474 0.05 1 1640 . 190 LEU HB3 H 1.474 0.05 1 1641 . 190 LEU HD1 H 1.184 0.05 1 1642 . 190 LEU HD2 H 1.184 0.05 1 1643 . 190 LEU HG H 1.696 0.05 1 1644 . 191 LEU H H 7.238 0.05 1 1645 . 191 LEU N N 116.835 0.05 1 1646 . 191 LEU CA C 56.620 0.05 1 1647 . 191 LEU HA H 3.925 0.05 1 1648 . 191 LEU C C 177.470 0.05 1 1649 . 191 LEU CB C 39.693 0.05 1 1650 . 191 LEU HB2 H 1.354 0.05 1 1651 . 191 LEU HB3 H 1.354 0.05 1 1652 . 191 LEU HD1 H 0.053 0.05 1 1653 . 191 LEU HD2 H 0.487 0.05 1 1654 . 191 LEU HG H 1.082 0.05 1 1655 . 192 ASN H H 8.460 0.05 1 1656 . 192 ASN N N 119.940 0.05 1 1657 . 192 ASN CA C 54.749 0.05 1 1658 . 192 ASN HA H 4.868 0.05 1 1659 . 192 ASN C C 173.380 0.05 1 1660 . 192 ASN CB C 38.535 0.05 1 1661 . 192 ASN HB2 H 2.679 0.05 1 1662 . 192 ASN HB3 H 2.991 0.05 1 1663 . 193 ALA H H 7.022 0.05 1 1664 . 193 ALA N N 119.424 0.05 1 1665 . 193 ALA CA C 52.878 0.05 1 1666 . 193 ALA HA H 4.377 0.05 1 1667 . 193 ALA C C 174.969 0.05 1 1668 . 193 ALA CB C 22.588 0.05 1 1669 . 193 ALA HB H 1.188 0.05 1 1670 . 194 VAL H H 7.840 0.05 1 1671 . 194 VAL N N 119.053 0.05 1 1672 . 194 VAL CA C 62.055 0.05 1 1673 . 194 VAL HA H 4.688 0.05 1 1674 . 194 VAL C C 174.369 0.05 1 1675 . 194 VAL CB C 32.744 0.05 1 1676 . 194 VAL HB H 1.884 0.05 1 1677 . 194 VAL HG1 H 0.645 0.05 1 1678 . 194 VAL HG2 H 0.849 0.05 1 1679 . 195 ILE H H 9.110 0.05 1 1680 . 195 ILE N N 127.315 0.05 1 1681 . 195 ILE CA C 59.115 0.05 1 1682 . 195 ILE HA H 4.681 0.05 1 1683 . 195 ILE C C 172.759 0.05 1 1684 . 195 ILE CB C 40.495 0.05 1 1685 . 195 ILE HB H 1.670 0.05 1 1686 . 195 ILE HG2 H 0.760 0.05 1 1687 . 195 ILE HG12 H 1.056 0.05 1 1688 . 195 ILE HG13 H 1.099 0.05 1 1689 . 196 VAL H H 9.224 0.05 1 1690 . 196 VAL N N 125.687 0.05 1 1691 . 196 VAL CA C 61.342 0.05 1 1692 . 196 VAL HA H 4.527 0.05 1 1693 . 196 VAL C C 173.702 0.05 1 1694 . 196 VAL CB C 35.417 0.05 1 1695 . 196 VAL HB H 1.647 0.05 1 1696 . 196 VAL HG1 H 0.726 0.05 1 1697 . 196 VAL HG2 H 0.726 0.05 1 1698 . 197 GLN H H 8.178 0.05 1 1699 . 197 GLN N N 125.947 0.05 1 1700 . 197 GLN CA C 55.284 0.05 1 1701 . 197 GLN HA H 4.622 0.05 1 1702 . 197 GLN C C 172.161 0.05 1 1703 . 197 GLN CB C 30.874 0.05 1 1704 . 197 GLN HB2 H 1.165 0.05 1 1705 . 197 GLN HB3 H 1.165 0.05 1 1706 . 197 GLN HG2 H 2.264 0.05 1 1707 . 197 GLN HG3 H 2.264 0.05 1 1708 . 198 ARG H H 8.976 0.05 1 1709 . 198 ARG N N 130.211 0.05 1 1710 . 198 ARG CA C 55.106 0.05 1 1711 . 198 ARG HA H 4.633 0.05 1 1712 . 198 ARG C C 173.472 0.05 1 1713 . 198 ARG CB C 33.724 0.05 1 1714 . 198 ARG HB2 H 1.363 0.05 1 1715 . 198 ARG HB3 H 1.654 0.05 1 1716 . 199 LEU H H 8.740 0.05 1 1717 . 199 LEU N N 126.767 0.05 1 1718 . 199 LEU CA C 56.620 0.05 1 1719 . 199 LEU HA H 4.548 0.05 1 1720 . 199 LEU C C 175.864 0.05 1 1721 . 199 LEU CB C 41.119 0.05 1 1722 . 199 LEU HB2 H 1.700 0.05 1 1723 . 199 LEU HB3 H 1.700 0.05 1 1724 . 199 LEU HD1 H 0.669 0.05 1 1725 . 199 LEU HD2 H 0.669 0.05 1 1726 . 199 LEU HG H 1.533 0.05 1 1727 . 200 THR H H 7.714 0.05 1 1728 . 200 THR N N 119.569 0.05 1 1729 . 200 THR CA C 62.678 0.05 1 1730 . 200 THR HA H 4.533 0.05 1 1731 . 200 THR C C 178.257 0.05 1 1732 . 200 THR CB C 70.696 0.05 1 1733 . 200 THR HB H 4.137 0.05 1 1734 . 200 THR HG2 H 0.969 0.05 1 stop_ save_