data_16729 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignment of Salmonella typhimurium tip protein SipD ; _BMRB_accession_number 16729 _BMRB_flat_file_name bmr16729.str _Entry_type original _Submission_date 2010-02-16 _Accession_date 2010-02-16 _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 Wang Yu . . 2 Nordhues Bryce . . 3 Zhong Dalian . . 4 'De Guzman' Roberto N. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 265 "13C chemical shifts" 801 "15N chemical shifts" 274 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-11-21 update BMRB 'remove the assignment of PRO Hs' 2010-05-18 update BMRB 'complete entry citation' 2010-05-03 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR characterization of the interaction of the Salmonella type III secretion system protein SipD and bile salts.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20397637 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Yu . . 2 Nordhues Bryce A. . 3 Zhong Dalian . . 4 'De Guzman' Roberto N. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 49 _Journal_issue 19 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4220 _Page_last 4226 _Year 2010 _Details . loop_ _Keyword 'bile salts' NMR pathogenesis salmonella sipd 'tip protein' 'type III secretion' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name SipDND38 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SipDND38 $SipD stop_ _System_molecular_weight 34000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SipD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SipD _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 343 _Mol_residue_sequence ; MLNIQNYSASPHPGIVAERP QTPSASEHVETAVVPSTTEH RGTDIISLSQAATKIHQAQQ TLQSTPPISEENNDERTLAR QQLTSSLNALAKSGVSLSAE QNENLRSAFSAPTSALFSAS PMAQPRTTISDAEIWDMVSQ NISAIGDSYLGVYENVVAVY TDFYQAFSDILSKMGGWLLP GKDGNTVKLDVTSLKNDLNS LVNKYNQINSNTVLFPAQSG SGVKVATEAEARQWLSELNL PNSCLKSYGSGYVVTVDLTP LQKMVQDIDGLGAPGKDSKL EMDNAKYQAWQSGFKAQEEN MKTTLQTLTQKYSNANSLYD NLVKVLSSTISSSLETAKSF LQG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LEU 3 ASN 4 ILE 5 GLN 6 ASN 7 TYR 8 SER 9 ALA 10 SER 11 PRO 12 HIS 13 PRO 14 GLY 15 ILE 16 VAL 17 ALA 18 GLU 19 ARG 20 PRO 21 GLN 22 THR 23 PRO 24 SER 25 ALA 26 SER 27 GLU 28 HIS 29 VAL 30 GLU 31 THR 32 ALA 33 VAL 34 VAL 35 PRO 36 SER 37 THR 38 THR 39 GLU 40 HIS 41 ARG 42 GLY 43 THR 44 ASP 45 ILE 46 ILE 47 SER 48 LEU 49 SER 50 GLN 51 ALA 52 ALA 53 THR 54 LYS 55 ILE 56 HIS 57 GLN 58 ALA 59 GLN 60 GLN 61 THR 62 LEU 63 GLN 64 SER 65 THR 66 PRO 67 PRO 68 ILE 69 SER 70 GLU 71 GLU 72 ASN 73 ASN 74 ASP 75 GLU 76 ARG 77 THR 78 LEU 79 ALA 80 ARG 81 GLN 82 GLN 83 LEU 84 THR 85 SER 86 SER 87 LEU 88 ASN 89 ALA 90 LEU 91 ALA 92 LYS 93 SER 94 GLY 95 VAL 96 SER 97 LEU 98 SER 99 ALA 100 GLU 101 GLN 102 ASN 103 GLU 104 ASN 105 LEU 106 ARG 107 SER 108 ALA 109 PHE 110 SER 111 ALA 112 PRO 113 THR 114 SER 115 ALA 116 LEU 117 PHE 118 SER 119 ALA 120 SER 121 PRO 122 MET 123 ALA 124 GLN 125 PRO 126 ARG 127 THR 128 THR 129 ILE 130 SER 131 ASP 132 ALA 133 GLU 134 ILE 135 TRP 136 ASP 137 MET 138 VAL 139 SER 140 GLN 141 ASN 142 ILE 143 SER 144 ALA 145 ILE 146 GLY 147 ASP 148 SER 149 TYR 150 LEU 151 GLY 152 VAL 153 TYR 154 GLU 155 ASN 156 VAL 157 VAL 158 ALA 159 VAL 160 TYR 161 THR 162 ASP 163 PHE 164 TYR 165 GLN 166 ALA 167 PHE 168 SER 169 ASP 170 ILE 171 LEU 172 SER 173 LYS 174 MET 175 GLY 176 GLY 177 TRP 178 LEU 179 LEU 180 PRO 181 GLY 182 LYS 183 ASP 184 GLY 185 ASN 186 THR 187 VAL 188 LYS 189 LEU 190 ASP 191 VAL 192 THR 193 SER 194 LEU 195 LYS 196 ASN 197 ASP 198 LEU 199 ASN 200 SER 201 LEU 202 VAL 203 ASN 204 LYS 205 TYR 206 ASN 207 GLN 208 ILE 209 ASN 210 SER 211 ASN 212 THR 213 VAL 214 LEU 215 PHE 216 PRO 217 ALA 218 GLN 219 SER 220 GLY 221 SER 222 GLY 223 VAL 224 LYS 225 VAL 226 ALA 227 THR 228 GLU 229 ALA 230 GLU 231 ALA 232 ARG 233 GLN 234 TRP 235 LEU 236 SER 237 GLU 238 LEU 239 ASN 240 LEU 241 PRO 242 ASN 243 SER 244 CYS 245 LEU 246 LYS 247 SER 248 TYR 249 GLY 250 SER 251 GLY 252 TYR 253 VAL 254 VAL 255 THR 256 VAL 257 ASP 258 LEU 259 THR 260 PRO 261 LEU 262 GLN 263 LYS 264 MET 265 VAL 266 GLN 267 ASP 268 ILE 269 ASP 270 GLY 271 LEU 272 GLY 273 ALA 274 PRO 275 GLY 276 LYS 277 ASP 278 SER 279 LYS 280 LEU 281 GLU 282 MET 283 ASP 284 ASN 285 ALA 286 LYS 287 TYR 288 GLN 289 ALA 290 TRP 291 GLN 292 SER 293 GLY 294 PHE 295 LYS 296 ALA 297 GLN 298 GLU 299 GLU 300 ASN 301 MET 302 LYS 303 THR 304 THR 305 LEU 306 GLN 307 THR 308 LEU 309 THR 310 GLN 311 LYS 312 TYR 313 SER 314 ASN 315 ALA 316 ASN 317 SER 318 LEU 319 TYR 320 ASP 321 ASN 322 LEU 323 VAL 324 LYS 325 VAL 326 LEU 327 SER 328 SER 329 THR 330 ILE 331 SER 332 SER 333 SER 334 LEU 335 GLU 336 THR 337 ALA 338 LYS 339 SER 340 PHE 341 LEU 342 GLN 343 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2YM0 "Truncated Sipd From Salmonella Typhimurium" 61.81 233 100.00 100.00 6.18e-151 PDB 2YM9 "Sipd From Salmonella Typhimurium" 100.00 346 100.00 100.00 0.00e+00 PDB 3NZZ "Crystal Structure Of The Salmonella Type Iii Secretion System Tip Protein Sipd" 88.92 308 100.00 100.00 0.00e+00 PDB 3O00 "Crystal Structure Of The Salmonella Type Iii Secretion System Tip Protein Sipd-C244s" 88.92 308 99.67 99.67 0.00e+00 PDB 3O01 "The Crystal Structure Of The Salmonella Type Iii Secretion System Tip Protein Sipd In Complex With Deoxycholate" 88.92 308 99.67 99.67 0.00e+00 PDB 3O02 "The Crystal Structure Of The Salmonella Type Iii Secretion System Tip Protein Sipd In Complex With Chenodeoxycholate" 88.92 308 100.00 100.00 0.00e+00 PDB 3ZQB "Prgi-Sipd From Salmonella Typhimurium" 63.27 305 100.00 100.00 3.29e-153 PDB 3ZQE "Prgi-Sipd From Salmonella Typhimurium In Complex With Deoxycholate" 63.27 305 100.00 100.00 3.29e-153 DBJ BAJ37875 "translocation machinery component [Salmonella enterica subsp. enterica serovar Typhimurium str. T000240]" 100.00 343 100.00 100.00 0.00e+00 DBJ BAP08788 "pathogenicity island 1 effector protein [Salmonella enterica subsp. enterica serovar Typhimurium str. L-3553]" 100.00 343 100.00 100.00 0.00e+00 EMBL CAR34302 "pathogenicity island 1 effector protein [Salmonella enterica subsp. enterica serovar Enteritidis str. P125109]" 100.00 343 99.71 99.71 0.00e+00 EMBL CAR38594 "pathogenicity island 1 effector protein [Salmonella enterica subsp. enterica serovar Gallinarum str. 287/91]" 100.00 343 99.71 99.71 0.00e+00 EMBL CBG25852 "pathogenicity island 1 effector protein [Salmonella enterica subsp. enterica serovar Typhimurium str. D23580]" 100.00 343 100.00 100.00 0.00e+00 EMBL CBW18960 "pathogenicity island 1 Type III secretion system apparatus-part of the Translocon [Salmonella enterica subsp. enterica serovar " 100.00 343 100.00 100.00 0.00e+00 EMBL CBY97053 "Cell invasion protein sipD Salmonella invasion protein D [Salmonella enterica subsp. enterica serovar Weltevreden str. 2007-60-" 100.00 343 99.42 99.71 0.00e+00 GB AAA86617 "SipD [Salmonella enterica subsp. enterica serovar Typhimurium str. SL1344]" 98.83 348 98.23 99.12 0.00e+00 GB AAC43548 "SspD [Salmonella enterica subsp. enterica serovar Typhimurium str. SL1344]" 100.00 343 100.00 100.00 0.00e+00 GB AAL21763 "cell invasion protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 343 100.00 100.00 0.00e+00 GB AAX66721 "cell invasion protein [Salmonella enterica subsp. enterica serovar Choleraesuis str. SC-B67]" 100.00 343 99.42 99.42 0.00e+00 GB ABX68926 "hypothetical protein SPAB_03585 [Salmonella enterica subsp. enterica serovar Paratyphi B str. SPB7]" 90.67 311 99.36 99.68 0.00e+00 REF NP_461804 "cell invasion protein SipD [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 343 100.00 100.00 0.00e+00 REF WP_000932241 "cell invasion protein SipD [Salmonella enterica]" 100.00 343 98.83 99.13 0.00e+00 REF WP_000932242 "cell invasion protein SipD [Salmonella enterica]" 100.00 343 98.54 99.13 0.00e+00 REF WP_000932245 "cell invasion protein SipD [Salmonella enterica]" 100.00 343 98.83 99.13 0.00e+00 REF WP_000932246 "cell invasion protein SipD [Salmonella enterica]" 100.00 343 100.00 100.00 0.00e+00 SP Q56026 "RecName: Full=Cell invasion protein SipD; AltName: Full=Salmonella invasion protein D" 100.00 343 100.00 100.00 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SipD 'Salmonella typhimurium' 90371 Bacteria . Salmonella typhimurium 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 $SipD 'recombinant technology' . Escherichia coli . pET21a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SipD 0.6 mM '[U-98% 15N]' $SipD 0.5 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.08 . M pH 6.5 . pH pressure 1 . atm temperature 303 . 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 HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name SipDND38 _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 37 37 THR C C 177.104 0.000 1 2 38 38 THR H H 8.464 0.000 1 3 38 38 THR C C 175.332 0.000 1 4 38 38 THR CA C 45.730 0.000 1 5 38 38 THR N N 109.866 0.000 1 6 39 39 GLU H H 7.982 0.000 1 7 39 39 GLU C C 175.573 0.000 1 8 39 39 GLU CA C 63.064 0.000 1 9 39 39 GLU CB C 68.680 0.000 1 10 39 39 GLU N N 114.303 0.000 1 11 40 40 HIS H H 8.294 0.000 1 12 40 40 HIS CA C 55.592 0.000 1 13 40 40 HIS CB C 39.386 0.000 1 14 40 40 HIS N N 124.038 0.000 1 15 41 41 ARG H H 7.824 0.000 1 16 41 41 ARG C C 178.014 0.000 1 17 41 41 ARG CA C 62.373 0.000 1 18 41 41 ARG CB C 37.156 0.000 1 19 41 41 ARG N N 120.331 0.000 1 20 42 42 GLY H H 7.826 0.000 1 21 42 42 GLY N N 120.422 0.000 1 22 46 46 ILE H H 8.088 0.000 1 23 46 46 ILE CA C 58.443 0.000 1 24 46 46 ILE N N 121.957 0.000 1 25 47 47 SER H H 8.032 0.000 1 26 47 47 SER C C 178.803 0.000 1 27 47 47 SER CA C 54.974 0.000 1 28 47 47 SER N N 122.864 0.000 1 29 48 48 LEU H H 8.434 0.000 1 30 48 48 LEU C C 180.608 0.000 1 31 48 48 LEU CA C 55.093 0.000 1 32 48 48 LEU CB C 17.161 0.000 1 33 48 48 LEU N N 119.538 0.000 1 34 49 49 SER H H 7.786 0.000 1 35 49 49 SER C C 176.612 0.000 1 36 49 49 SER CA C 66.054 0.000 1 37 49 49 SER CB C 68.463 0.000 1 38 49 49 SER N N 114.375 0.000 1 39 50 50 GLN H H 7.820 0.000 1 40 50 50 GLN C C 180.001 0.000 1 41 50 50 GLN CA C 58.532 0.000 1 42 50 50 GLN CB C 31.169 0.000 1 43 50 50 GLN N N 121.951 0.000 1 44 51 51 ALA H H 8.742 0.000 1 45 51 51 ALA C C 179.807 0.000 1 46 51 51 ALA CA C 65.645 0.000 1 47 51 51 ALA CB C 36.916 0.000 1 48 51 51 ALA N N 121.317 0.000 1 49 53 53 THR CA C 57.941 0.000 1 50 54 54 LYS H H 8.310 0.000 1 51 54 54 LYS C C 178.372 0.000 1 52 54 54 LYS CA C 52.857 0.000 1 53 54 54 LYS CB C 18.239 0.000 1 54 54 54 LYS N N 126.114 0.000 1 55 55 55 ILE H H 8.270 0.000 1 56 55 55 ILE C C 176.980 0.000 1 57 55 55 ILE CA C 56.856 0.000 1 58 55 55 ILE CB C 29.045 0.000 1 59 55 55 ILE N N 119.602 0.000 1 60 56 56 HIS H H 8.191 0.000 1 61 56 56 HIS C C 177.756 0.000 1 62 56 56 HIS CA C 57.064 0.000 1 63 56 56 HIS CB C 29.023 0.000 1 64 56 56 HIS N N 120.533 0.000 1 65 57 57 GLN H H 7.920 0.000 1 66 57 57 GLN C C 175.532 0.000 1 67 57 57 GLN CA C 63.414 0.000 1 68 57 57 GLN CB C 68.789 0.000 1 69 57 57 GLN N N 115.429 0.000 1 70 58 58 ALA H H 7.985 0.000 1 71 58 58 ALA C C 179.623 0.000 1 72 58 58 ALA CA C 55.990 0.000 1 73 58 58 ALA CB C 40.944 0.000 1 74 58 58 ALA N N 123.795 0.000 1 75 59 59 GLN H H 8.170 0.000 1 76 59 59 GLN C C 178.267 0.000 1 77 59 59 GLN CA C 56.855 0.000 1 78 59 59 GLN CB C 28.294 0.000 1 79 59 59 GLN N N 116.802 0.000 1 80 60 60 GLN H H 7.592 0.000 1 81 60 60 GLN CA C 59.241 0.000 1 82 60 60 GLN CB C 64.835 0.000 1 83 60 60 GLN N N 111.699 0.000 1 84 63 63 GLN C C 176.896 0.000 1 85 63 63 GLN CA C 62.405 0.000 1 86 63 63 GLN CB C 31.071 0.000 1 87 64 64 SER H H 8.109 0.000 1 88 64 64 SER C C 176.320 0.000 1 89 64 64 SER CA C 60.730 0.000 1 90 64 64 SER CB C 37.919 0.000 1 91 64 64 SER N N 121.205 0.000 1 92 65 65 THR H H 8.252 0.000 1 93 65 65 THR C C 174.444 0.000 1 94 65 65 THR CA C 57.721 0.000 1 95 65 65 THR CB C 63.615 0.000 1 96 65 65 THR N N 120.008 0.000 1 97 66 66 PRO C C 176.403 0.000 1 98 66 66 PRO CA C 56.241 0.000 1 99 66 66 PRO CB C 29.508 0.000 1 100 66 66 PRO N N 123.756 0.000 1 101 67 67 PRO C C 176.140 0.000 1 102 67 67 PRO CA C 56.272 0.000 1 103 67 67 PRO CB C 29.489 0.000 1 104 67 67 PRO N N 121.840 0.000 1 105 68 68 ILE C C 177.842 0.000 1 106 69 69 SER H H 8.233 0.000 1 107 69 69 SER C C 179.284 0.000 1 108 69 69 SER CA C 55.355 0.000 1 109 69 69 SER N N 121.314 0.000 1 110 70 70 GLU H H 8.709 0.000 1 111 70 70 GLU C C 178.885 0.000 1 112 70 70 GLU CA C 57.245 0.000 1 113 70 70 GLU N N 125.426 0.000 1 114 71 71 GLU H H 7.571 0.000 1 115 71 71 GLU C C 180.097 0.000 1 116 71 71 GLU CA C 59.121 0.000 1 117 71 71 GLU N N 120.965 0.000 1 118 72 72 ASN H H 8.101 0.000 1 119 72 72 ASN C C 178.127 0.000 1 120 72 72 ASN CA C 59.980 0.000 1 121 72 72 ASN CB C 29.086 0.000 1 122 72 72 ASN N N 121.146 0.000 1 123 73 73 ASN H H 8.566 0.000 1 124 73 73 ASN C C 177.777 0.000 1 125 73 73 ASN CA C 66.920 0.000 1 126 73 73 ASN CB C 68.003 0.000 1 127 73 73 ASN N N 117.742 0.000 1 128 74 74 ASP H H 8.283 0.000 1 129 74 74 ASP C C 179.456 0.000 1 130 74 74 ASP CA C 57.695 0.000 1 131 74 74 ASP CB C 40.328 0.000 1 132 74 74 ASP N N 124.788 0.000 1 133 75 75 GLU H H 7.929 0.000 1 134 75 75 GLU C C 180.426 0.000 1 135 75 75 GLU CA C 54.735 0.000 1 136 75 75 GLU CB C 16.887 0.000 1 137 75 75 GLU N N 122.901 0.000 1 138 76 76 ARG H H 7.596 0.000 1 139 76 76 ARG C C 178.921 0.000 1 140 76 76 ARG CA C 60.728 0.000 1 141 76 76 ARG CB C 29.899 0.000 1 142 76 76 ARG N N 116.427 0.000 1 143 77 77 THR H H 8.221 0.000 1 144 77 77 THR C C 177.143 0.000 1 145 77 77 THR CA C 58.392 0.000 1 146 77 77 THR CB C 27.306 0.000 1 147 77 77 THR N N 121.247 0.000 1 148 78 78 LEU H H 8.353 0.000 1 149 78 78 LEU C C 179.194 0.000 1 150 78 78 LEU CA C 58.261 0.000 1 151 78 78 LEU CB C 27.507 0.000 1 152 78 78 LEU N N 120.741 0.000 1 153 79 79 ALA H H 7.910 0.000 1 154 79 79 ALA C C 179.190 0.000 1 155 79 79 ALA CA C 59.428 0.000 1 156 79 79 ALA CB C 41.090 0.000 1 157 79 79 ALA N N 123.104 0.000 1 158 80 80 ARG H H 8.767 0.000 1 159 80 80 ARG C C 177.578 0.000 1 160 80 80 ARG CA C 66.679 0.000 1 161 80 80 ARG CB C 67.620 0.000 1 162 80 80 ARG N N 115.133 0.000 1 163 81 81 GLN H H 8.537 0.000 1 164 81 81 GLN CA C 61.763 0.000 1 165 81 81 GLN N N 118.296 0.000 1 166 82 82 GLN C C 178.156 0.000 1 167 82 82 GLN CA C 63.761 0.000 1 168 83 83 LEU H H 7.717 0.000 1 169 83 83 LEU C C 178.635 0.000 1 170 83 83 LEU CA C 57.189 0.000 1 171 83 83 LEU CB C 40.172 0.000 1 172 83 83 LEU N N 122.795 0.000 1 173 84 84 THR H H 8.175 0.000 1 174 84 84 THR C C 177.724 0.000 1 175 84 84 THR CA C 55.468 0.000 1 176 84 84 THR CB C 37.342 0.000 1 177 84 84 THR N N 118.577 0.000 1 178 85 85 SER H H 7.637 0.000 1 179 85 85 SER C C 181.069 0.000 1 180 85 85 SER CA C 54.435 0.000 1 181 85 85 SER CB C 17.066 0.000 1 182 85 85 SER N N 122.117 0.000 1 183 86 86 SER H H 7.492 0.000 1 184 86 86 SER C C 179.179 0.000 1 185 86 86 SER CA C 57.187 0.000 1 186 86 86 SER CB C 38.785 0.000 1 187 86 86 SER N N 120.922 0.000 1 188 87 87 LEU H H 7.687 0.000 1 189 87 87 LEU C C 180.396 0.000 1 190 87 87 LEU CA C 54.589 0.000 1 191 87 87 LEU CB C 18.043 0.000 1 192 87 87 LEU N N 121.496 0.000 1 193 88 88 ASN H H 7.690 0.000 1 194 88 88 ASN C C 178.196 0.000 1 195 88 88 ASN CA C 56.950 0.000 1 196 88 88 ASN CB C 31.504 0.000 1 197 88 88 ASN N N 117.256 0.000 1 198 89 89 ALA H H 7.647 0.000 1 199 89 89 ALA C C 174.935 0.000 1 200 89 89 ALA CA C 59.663 0.000 1 201 89 89 ALA CB C 63.909 0.000 1 202 89 89 ALA N N 114.091 0.000 1 203 90 90 LEU H H 7.940 0.000 1 204 90 90 LEU C C 174.667 0.000 1 205 90 90 LEU CA C 45.864 0.000 1 206 90 90 LEU N N 111.004 0.000 1 207 91 91 ALA H H 7.485 0.000 1 208 91 91 ALA C C 175.946 0.000 1 209 91 91 ALA CA C 63.165 0.000 1 210 91 91 ALA CB C 31.089 0.000 1 211 91 91 ALA N N 120.526 0.000 1 212 92 92 LYS H H 8.601 0.000 1 213 92 92 LYS C C 173.575 0.000 1 214 92 92 LYS CA C 57.260 0.000 1 215 92 92 LYS CB C 64.314 0.000 1 216 92 92 LYS N N 124.675 0.000 1 217 93 93 SER H H 8.506 0.000 1 218 93 93 SER C C 177.301 0.000 1 219 93 93 SER CA C 52.738 0.000 1 220 93 93 SER CB C 42.645 0.000 1 221 93 93 SER N N 124.220 0.000 1 222 94 94 GLY H H 8.624 0.000 1 223 94 94 GLY C C 174.689 0.000 1 224 94 94 GLY CA C 56.985 0.000 1 225 94 94 GLY N N 117.335 0.000 1 226 95 95 VAL H H 8.851 0.000 1 227 95 95 VAL C C 180.672 0.000 1 228 95 95 VAL CA C 55.392 0.000 1 229 95 95 VAL CB C 17.208 0.000 1 230 95 95 VAL N N 124.594 0.000 1 231 96 96 SER H H 8.633 0.000 1 232 96 96 SER C C 179.069 0.000 1 233 96 96 SER CA C 59.211 0.000 1 234 96 96 SER CB C 28.592 0.000 1 235 96 96 SER N N 118.064 0.000 1 236 97 97 LEU H H 7.577 0.000 1 237 97 97 LEU C C 178.494 0.000 1 238 97 97 LEU CA C 58.058 0.000 1 239 97 97 LEU CB C 28.716 0.000 1 240 97 97 LEU N N 119.469 0.000 1 241 98 98 SER H H 8.414 0.000 1 242 98 98 SER C C 177.147 0.000 1 243 98 98 SER CA C 56.304 0.000 1 244 98 98 SER CB C 37.939 0.000 1 245 98 98 SER N N 118.818 0.000 1 246 101 101 GLN H H 7.919 0.000 1 247 101 101 GLN C C 178.719 0.000 1 248 101 101 GLN CA C 57.505 0.000 1 249 101 101 GLN CB C 40.559 0.000 1 250 101 101 GLN N N 119.650 0.000 1 251 102 102 ASN H H 8.447 0.000 1 252 102 102 ASN C C 179.571 0.000 1 253 102 102 ASN CA C 59.791 0.000 1 254 102 102 ASN CB C 29.036 0.000 1 255 102 102 ASN N N 119.417 0.000 1 256 103 103 GLU H H 8.387 0.000 1 257 103 103 GLU C C 176.689 0.000 1 258 103 103 GLU CA C 60.955 0.000 1 259 103 103 GLU CB C 62.385 0.000 1 260 103 103 GLU N N 114.183 0.000 1 261 104 104 ASN H H 7.628 0.000 1 262 104 104 ASN C C 178.857 0.000 1 263 104 104 ASN CA C 53.905 0.000 1 264 104 104 ASN CB C 18.547 0.000 1 265 104 104 ASN N N 122.091 0.000 1 266 105 105 LEU H H 7.879 0.000 1 267 105 105 LEU C C 175.245 0.000 1 268 105 105 LEU CA C 59.332 0.000 1 269 105 105 LEU CB C 38.409 0.000 1 270 105 105 LEU N N 112.118 0.000 1 271 106 106 ARG H H 7.516 0.000 1 272 106 106 ARG C C 174.184 0.000 1 273 106 106 ARG CA C 59.127 0.000 1 274 106 106 ARG CB C 63.820 0.000 1 275 106 106 ARG N N 113.816 0.000 1 276 107 107 SER H H 7.645 0.000 1 277 107 107 SER C C 175.728 0.000 1 278 107 107 SER CA C 51.655 0.000 1 279 107 107 SER CB C 17.033 0.000 1 280 107 107 SER N N 125.922 0.000 1 281 108 108 ALA C C 177.568 0.000 1 282 108 108 ALA CA C 63.315 0.000 1 283 108 108 ALA CB C 30.686 0.000 1 284 109 109 PHE H H 7.828 0.000 1 285 109 109 PHE CA C 62.358 0.000 1 286 109 109 PHE CB C 68.815 0.000 1 287 109 109 PHE N N 112.212 0.000 1 288 110 110 SER H H 7.859 0.000 1 289 110 110 SER CA C 58.776 0.000 1 290 110 110 SER N N 116.697 0.000 1 291 111 111 ALA H H 8.021 0.000 1 292 111 111 ALA C C 178.179 0.000 1 293 111 111 ALA CA C 52.960 0.000 1 294 111 111 ALA N N 125.687 0.000 1 295 112 112 PRO C C 177.166 0.000 1 296 112 112 PRO CA C 55.566 0.000 1 297 112 112 PRO CB C 40.655 0.000 1 298 112 112 PRO N N 118.185 0.000 1 299 113 113 THR H H 7.385 0.000 1 300 113 113 THR C C 175.893 0.000 1 301 113 113 THR CA C 57.085 0.000 1 302 113 113 THR CB C 38.407 0.000 1 303 113 113 THR N N 116.632 0.000 1 304 114 114 SER H H 7.809 0.000 1 305 114 114 SER C C 174.157 0.000 1 306 114 114 SER CA C 58.528 0.000 1 307 114 114 SER CB C 63.340 0.000 1 308 114 114 SER N N 115.593 0.000 1 309 115 115 ALA H H 8.013 0.000 1 310 115 115 ALA C C 177.323 0.000 1 311 115 115 ALA CA C 51.911 0.000 1 312 115 115 ALA CB C 18.514 0.000 1 313 115 115 ALA N N 125.165 0.000 1 314 116 116 LEU H H 7.995 0.000 1 315 116 116 LEU C C 173.225 0.000 1 316 116 116 LEU CA C 55.983 0.000 1 317 116 116 LEU CB C 63.322 0.000 1 318 116 116 LEU N N 115.700 0.000 1 319 117 117 PHE C C 177.284 0.000 1 320 117 117 PHE CA C 63.367 0.000 1 321 117 117 PHE CB C 32.376 0.000 1 322 118 118 SER H H 8.111 0.000 1 323 118 118 SER C C 175.763 0.000 1 324 118 118 SER CA C 55.454 0.000 1 325 118 118 SER CB C 31.212 0.000 1 326 118 118 SER N N 118.780 0.000 1 327 119 119 ALA H H 7.965 0.000 1 328 119 119 ALA C C 176.890 0.000 1 329 119 119 ALA CA C 51.816 0.000 1 330 119 119 ALA CB C 18.527 0.000 1 331 119 119 ALA N N 124.444 0.000 1 332 120 120 SER H H 7.878 0.000 1 333 120 120 SER C C 174.046 0.000 1 334 120 120 SER CA C 53.088 0.000 1 335 120 120 SER CB C 27.961 0.000 1 336 120 120 SER N N 119.670 0.000 1 337 121 121 PRO C C 176.848 0.000 1 338 121 121 PRO CA C 62.694 0.000 1 339 121 121 PRO CB C 31.220 0.000 1 340 122 122 MET H H 8.406 0.000 1 341 122 122 MET C C 176.459 0.000 1 342 122 122 MET CA C 55.546 0.000 1 343 122 122 MET CB C 29.915 0.000 1 344 122 122 MET N N 121.797 0.000 1 345 123 123 ALA H H 8.079 0.000 1 346 123 123 ALA C C 174.475 0.000 1 347 123 123 ALA CA C 61.495 0.000 1 348 123 123 ALA CB C 69.179 0.000 1 349 123 123 ALA N N 115.034 0.000 1 350 124 124 GLN H H 8.019 0.000 1 351 124 124 GLN C C 173.997 0.000 1 352 124 124 GLN CA C 61.343 0.000 1 353 124 124 GLN CB C 69.212 0.000 1 354 124 124 GLN N N 116.642 0.000 1 355 125 125 PRO C C 175.816 0.000 1 356 125 125 PRO CA C 60.209 0.000 1 357 125 125 PRO CB C 38.377 0.000 1 358 125 125 PRO N N 123.853 0.000 1 359 126 126 ARG H H 8.453 0.000 1 360 126 126 ARG C C 174.762 0.000 1 361 126 126 ARG CA C 57.692 0.000 1 362 126 126 ARG CB C 64.303 0.000 1 363 126 126 ARG N N 121.623 0.000 1 364 127 127 THR H H 8.509 0.000 1 365 127 127 THR C C 177.210 0.000 1 366 127 127 THR CA C 55.981 0.000 1 367 127 127 THR CB C 39.572 0.000 1 368 127 127 THR N N 122.618 0.000 1 369 128 128 THR H H 7.992 0.000 1 370 128 128 THR C C 178.723 0.000 1 371 128 128 THR CA C 53.559 0.000 1 372 128 128 THR CB C 18.273 0.000 1 373 128 128 THR N N 121.299 0.000 1 374 129 129 ILE H H 7.758 0.000 1 375 129 129 ILE C C 178.327 0.000 1 376 129 129 ILE CA C 56.640 0.000 1 377 129 129 ILE CB C 29.557 0.000 1 378 129 129 ILE N N 118.238 0.000 1 379 130 130 SER H H 7.688 0.000 1 380 130 130 SER C C 176.363 0.000 1 381 130 130 SER CA C 62.426 0.000 1 382 130 130 SER CB C 36.189 0.000 1 383 130 130 SER N N 122.728 0.000 1 384 131 131 ASP H H 7.570 0.000 1 385 131 131 ASP C C 178.899 0.000 1 386 131 131 ASP CA C 59.134 0.000 1 387 131 131 ASP CB C 28.799 0.000 1 388 131 131 ASP N N 120.856 0.000 1 389 132 132 ALA H H 7.802 0.000 1 390 132 132 ALA C C 177.938 0.000 1 391 132 132 ALA CA C 56.972 0.000 1 392 132 132 ALA CB C 40.586 0.000 1 393 132 132 ALA N N 119.517 0.000 1 394 133 133 GLU H H 7.842 0.000 1 395 133 133 GLU C C 178.791 0.000 1 396 133 133 GLU CA C 58.846 0.000 1 397 133 133 GLU CB C 30.759 0.000 1 398 133 133 GLU N N 121.061 0.000 1 399 134 134 ILE H H 8.300 0.000 1 400 134 134 ILE C C 177.499 0.000 1 401 134 134 ILE CA C 65.835 0.000 1 402 134 134 ILE CB C 30.620 0.000 1 403 134 134 ILE N N 119.733 0.000 1 404 135 135 TRP H H 8.280 0.000 1 405 135 135 TRP C C 177.991 0.000 1 406 135 135 TRP CA C 61.076 0.000 1 407 135 135 TRP CB C 63.086 0.000 1 408 135 135 TRP N N 113.913 0.000 1 409 136 136 ASP H H 8.585 0.000 1 410 136 136 ASP C C 179.303 0.000 1 411 136 136 ASP CA C 58.990 0.000 1 412 136 136 ASP CB C 27.593 0.000 1 413 136 136 ASP N N 120.610 0.000 1 414 137 137 MET H H 8.208 0.000 1 415 137 137 MET C C 177.754 0.000 1 416 137 137 MET CA C 56.619 0.000 1 417 137 137 MET CB C 38.320 0.000 1 418 137 137 MET N N 119.355 0.000 1 419 138 138 VAL H H 9.069 0.000 1 420 138 138 VAL C C 180.094 0.000 1 421 138 138 VAL CA C 64.376 0.000 1 422 138 138 VAL CB C 36.689 0.000 1 423 138 138 VAL N N 120.500 0.000 1 424 139 139 SER C C 175.609 0.000 1 425 139 139 SER CA C 62.034 0.000 1 426 140 140 GLN H H 7.790 0.000 1 427 140 140 GLN C C 180.676 0.000 1 428 140 140 GLN CA C 55.162 0.000 1 429 140 140 GLN CB C 17.749 0.000 1 430 140 140 GLN N N 124.488 0.000 1 431 141 141 ASN H H 8.054 0.000 1 432 141 141 ASN C C 179.174 0.000 1 433 141 141 ASN CA C 64.259 0.000 1 434 141 141 ASN CB C 37.437 0.000 1 435 141 141 ASN N N 117.408 0.000 1 436 142 142 ILE H H 8.526 0.000 1 437 142 142 ILE C C 174.177 0.000 1 438 142 142 ILE CA C 47.848 0.000 1 439 142 142 ILE N N 108.456 0.000 1 440 143 143 SER H H 8.757 0.000 1 441 143 143 SER C C 178.467 0.000 1 442 143 143 SER CA C 56.782 0.000 1 443 143 143 SER CB C 40.658 0.000 1 444 143 143 SER N N 120.408 0.000 1 445 144 144 ALA H H 8.388 0.000 1 446 144 144 ALA C C 173.470 0.000 1 447 144 144 ALA CA C 59.549 0.000 1 448 144 144 ALA CB C 63.971 0.000 1 449 144 144 ALA N N 111.954 0.000 1 450 145 145 ILE H H 7.426 0.000 1 451 145 145 ILE C C 175.217 0.000 1 452 145 145 ILE CA C 60.072 0.000 1 453 145 145 ILE CB C 40.685 0.000 1 454 145 145 ILE N N 119.300 0.000 1 455 146 146 GLY H H 8.851 0.000 1 456 146 146 GLY C C 178.293 0.000 1 457 146 146 GLY CA C 58.606 0.000 1 458 146 146 GLY N N 123.468 0.000 1 459 147 147 ASP H H 8.546 0.000 1 460 147 147 ASP C C 177.005 0.000 1 461 147 147 ASP CA C 46.110 0.000 1 462 147 147 ASP N N 103.811 0.000 1 463 148 148 SER H H 6.419 0.000 1 464 148 148 SER C C 177.827 0.000 1 465 148 148 SER CA C 65.978 0.000 1 466 148 148 SER CB C 30.957 0.000 1 467 148 148 SER N N 120.409 0.000 1 468 149 149 TYR H H 7.534 0.000 1 469 149 149 TYR C C 178.464 0.000 1 470 149 149 TYR CA C 64.834 0.000 1 471 149 149 TYR CB C 38.342 0.000 1 472 149 149 TYR N N 118.218 0.000 1 473 150 150 LEU H H 8.516 0.000 1 474 150 150 LEU C C 178.361 0.000 1 475 150 150 LEU CA C 58.828 0.000 1 476 150 150 LEU CB C 27.212 0.000 1 477 150 150 LEU N N 117.849 0.000 1 478 151 151 GLY H H 7.156 0.000 1 479 151 151 GLY C C 175.872 0.000 1 480 151 151 GLY CA C 57.403 0.000 1 481 151 151 GLY N N 118.250 0.000 1 482 152 152 VAL H H 8.605 0.000 1 483 152 152 VAL C C 177.606 0.000 1 484 152 152 VAL CA C 65.612 0.000 1 485 152 152 VAL N N 117.473 0.000 1 486 153 153 TYR H H 8.200 0.000 1 487 153 153 TYR C C 179.262 0.000 1 488 153 153 TYR CA C 67.023 0.000 1 489 153 153 TYR CB C 30.298 0.000 1 490 153 153 TYR N N 117.750 0.000 1 491 154 154 GLU H H 8.113 0.000 1 492 154 154 GLU C C 180.194 0.000 1 493 154 154 GLU CA C 56.828 0.000 1 494 154 154 GLU CB C 16.628 0.000 1 495 154 154 GLU N N 128.801 0.000 1 496 155 155 ASN H H 8.484 0.000 1 497 155 155 ASN C C 179.006 0.000 1 498 155 155 ASN CA C 65.818 0.000 1 499 155 155 ASN CB C 31.225 0.000 1 500 155 155 ASN N N 118.870 0.000 1 501 156 156 VAL H H 8.750 0.000 1 502 156 156 VAL C C 179.015 0.000 1 503 156 156 VAL CA C 62.818 0.000 1 504 156 156 VAL CB C 36.523 0.000 1 505 156 156 VAL N N 120.443 0.000 1 506 157 157 VAL H H 8.717 0.000 1 507 157 157 VAL C C 176.589 0.000 1 508 157 157 VAL CA C 67.935 0.000 1 509 157 157 VAL N N 116.646 0.000 1 510 158 158 ALA H H 7.510 0.000 1 511 158 158 ALA C C 178.800 0.000 1 512 158 158 ALA CA C 57.394 0.000 1 513 158 158 ALA CB C 40.030 0.000 1 514 158 158 ALA N N 123.292 0.000 1 515 159 159 VAL H H 7.974 0.000 1 516 159 159 VAL C C 175.858 0.000 1 517 159 159 VAL CA C 59.056 0.000 1 518 159 159 VAL CB C 38.581 0.000 1 519 159 159 VAL N N 122.804 0.000 1 520 160 160 TYR H H 8.805 0.000 1 521 160 160 TYR C C 178.522 0.000 1 522 160 160 TYR CA C 61.947 0.000 1 523 160 160 TYR CB C 38.339 0.000 1 524 160 160 TYR N N 119.550 0.000 1 525 161 161 THR H H 8.630 0.000 1 526 161 161 THR C C 177.771 0.000 1 527 161 161 THR CA C 58.229 0.000 1 528 161 161 THR CB C 27.355 0.000 1 529 161 161 THR N N 120.749 0.000 1 530 162 162 ASP H H 7.822 0.000 1 531 162 162 ASP C C 181.208 0.000 1 532 162 162 ASP CA C 54.610 0.000 1 533 162 162 ASP CB C 17.692 0.000 1 534 162 162 ASP N N 123.068 0.000 1 535 163 163 PHE H H 7.663 0.000 1 536 163 163 PHE C C 176.679 0.000 1 537 163 163 PHE CA C 60.327 0.000 1 538 163 163 PHE CB C 37.329 0.000 1 539 163 163 PHE N N 119.935 0.000 1 540 164 164 TYR H H 8.698 0.000 1 541 164 164 TYR C C 176.702 0.000 1 542 164 164 TYR CA C 61.465 0.000 1 543 164 164 TYR CB C 62.257 0.000 1 544 164 164 TYR N N 117.638 0.000 1 545 165 165 GLN H H 8.025 0.000 1 546 165 165 GLN C C 179.088 0.000 1 547 165 165 GLN CA C 56.885 0.000 1 548 165 165 GLN CB C 39.645 0.000 1 549 165 165 GLN N N 122.359 0.000 1 550 166 166 ALA H H 7.250 0.000 1 551 166 166 ALA C C 178.095 0.000 1 552 166 166 ALA CA C 64.997 0.000 1 553 166 166 ALA CB C 36.446 0.000 1 554 166 166 ALA N N 121.668 0.000 1 555 167 167 PHE H H 7.293 0.000 1 556 167 167 PHE C C 180.785 0.000 1 557 167 167 PHE CA C 57.283 0.000 1 558 167 167 PHE CB C 39.591 0.000 1 559 167 167 PHE N N 118.289 0.000 1 560 168 168 SER H H 7.811 0.000 1 561 168 168 SER C C 175.251 0.000 1 562 168 168 SER CA C 60.679 0.000 1 563 168 168 SER CB C 62.702 0.000 1 564 168 168 SER N N 114.499 0.000 1 565 169 169 ASP H H 7.346 0.000 1 566 169 169 ASP C C 177.630 0.000 1 567 169 169 ASP CA C 56.466 0.000 1 568 169 169 ASP CB C 30.754 0.000 1 569 169 169 ASP N N 121.672 0.000 1 570 170 170 ILE H H 7.251 0.000 1 571 170 170 ILE C C 178.216 0.000 1 572 170 170 ILE CA C 57.739 0.000 1 573 170 170 ILE CB C 30.965 0.000 1 574 170 170 ILE N N 117.995 0.000 1 575 171 171 LEU H H 8.175 0.000 1 576 171 171 LEU C C 176.072 0.000 1 577 171 171 LEU CA C 46.451 0.000 1 578 171 171 LEU N N 106.778 0.000 1 579 172 172 SER H H 7.342 0.000 1 580 172 172 SER C C 175.024 0.000 1 581 172 172 SER CA C 44.728 0.000 1 582 172 172 SER N N 105.608 0.000 1 583 173 173 LYS H H 7.526 0.000 1 584 173 173 LYS C C 173.986 0.000 1 585 173 173 LYS CA C 54.548 0.000 1 586 173 173 LYS CB C 30.053 0.000 1 587 173 173 LYS N N 120.013 0.000 1 588 174 174 MET H H 7.296 0.000 1 589 174 174 MET C C 174.873 0.000 1 590 174 174 MET CA C 53.439 0.000 1 591 174 174 MET CB C 43.110 0.000 1 592 174 174 MET N N 123.546 0.000 1 593 175 175 GLY H H 8.889 0.000 1 594 175 175 GLY C C 174.299 0.000 1 595 175 175 GLY CA C 51.406 0.000 1 596 175 175 GLY N N 127.172 0.000 1 597 176 176 GLY C C 177.415 0.000 1 598 177 177 TRP H H 8.129 0.000 1 599 177 177 TRP C C 175.097 0.000 1 600 177 177 TRP CA C 43.508 0.000 1 601 177 177 TRP N N 110.162 0.000 1 602 178 178 LEU H H 8.587 0.000 1 603 178 178 LEU C C 176.753 0.000 1 604 178 178 LEU CA C 57.831 0.000 1 605 178 178 LEU CB C 31.555 0.000 1 606 178 178 LEU N N 122.316 0.000 1 607 179 179 LEU H H 7.983 0.000 1 608 179 179 LEU C C 176.504 0.000 1 609 179 179 LEU CA C 53.287 0.000 1 610 179 179 LEU CB C 40.955 0.000 1 611 179 179 LEU N N 117.174 0.000 1 612 180 180 PRO C C 174.438 0.000 1 613 180 180 PRO CA C 45.676 0.000 1 614 180 180 PRO N N 106.043 0.000 1 615 181 181 GLY H H 8.321 0.000 1 616 181 181 GLY C C 174.995 0.000 1 617 181 181 GLY CA C 53.395 0.000 1 618 181 181 GLY N N 117.229 0.000 1 619 182 182 LYS H H 7.506 0.000 1 620 182 182 LYS C C 173.851 0.000 1 621 182 182 LYS CA C 59.592 0.000 1 622 182 182 LYS CB C 72.407 0.000 1 623 182 182 LYS N N 110.807 0.000 1 624 183 183 ASP H H 8.888 0.000 1 625 183 183 ASP C C 173.741 0.000 1 626 183 183 ASP CA C 59.628 0.000 1 627 183 183 ASP CB C 34.601 0.000 1 628 183 183 ASP N N 116.408 0.000 1 629 184 184 GLY H H 8.557 0.000 1 630 184 184 GLY C C 174.374 0.000 1 631 184 184 GLY CA C 54.539 0.000 1 632 184 184 GLY N N 121.578 0.000 1 633 185 185 ASN H H 8.754 0.000 1 634 185 185 ASN C C 177.237 0.000 1 635 185 185 ASN CA C 51.992 0.000 1 636 185 185 ASN CB C 45.367 0.000 1 637 185 185 ASN N N 125.502 0.000 1 638 186 186 THR H H 9.420 0.000 1 639 186 186 THR C C 174.592 0.000 1 640 186 186 THR CA C 51.867 0.000 1 641 186 186 THR CB C 36.508 0.000 1 642 186 186 THR N N 128.615 0.000 1 643 187 187 VAL H H 7.623 0.000 1 644 187 187 VAL C C 176.451 0.000 1 645 187 187 VAL CA C 63.565 0.000 1 646 187 187 VAL CB C 30.638 0.000 1 647 187 187 VAL N N 118.316 0.000 1 648 188 188 LYS H H 7.639 0.000 1 649 188 188 LYS CA C 66.067 0.000 1 650 188 188 LYS CB C 67.403 0.000 1 651 188 188 LYS N N 119.059 0.000 1 652 189 189 LEU H H 7.633 0.000 1 653 189 189 LEU C C 175.525 0.000 1 654 189 189 LEU CA C 61.652 0.000 1 655 189 189 LEU N N 119.041 0.000 1 656 190 190 ASP H H 6.487 0.000 1 657 190 190 ASP C C 177.385 0.000 1 658 190 190 ASP CA C 57.290 0.000 1 659 190 190 ASP CB C 40.538 0.000 1 660 190 190 ASP N N 121.426 0.000 1 661 191 191 VAL H H 8.175 0.000 1 662 191 191 VAL C C 178.089 0.000 1 663 191 191 VAL CA C 60.151 0.000 1 664 191 191 VAL CB C 31.425 0.000 1 665 191 191 VAL N N 117.821 0.000 1 666 192 192 THR H H 8.158 0.000 1 667 192 192 THR C C 178.778 0.000 1 668 192 192 THR CA C 55.751 0.000 1 669 192 192 THR CB C 36.802 0.000 1 670 192 192 THR N N 116.982 0.000 1 671 193 193 SER H H 7.886 0.000 1 672 193 193 SER C C 180.249 0.000 1 673 193 193 SER CA C 57.483 0.000 1 674 193 193 SER CB C 39.761 0.000 1 675 193 193 SER N N 123.048 0.000 1 676 194 194 LEU H H 8.353 0.000 1 677 194 194 LEU C C 178.823 0.000 1 678 194 194 LEU CA C 58.204 0.000 1 679 194 194 LEU CB C 41.330 0.000 1 680 194 194 LEU N N 121.533 0.000 1 681 195 195 LYS H H 9.076 0.000 1 682 195 195 LYS C C 178.830 0.000 1 683 195 195 LYS CA C 55.133 0.000 1 684 195 195 LYS CB C 37.191 0.000 1 685 195 195 LYS N N 117.586 0.000 1 686 196 196 ASN H H 8.222 0.000 1 687 196 196 ASN C C 176.781 0.000 1 688 196 196 ASN CA C 61.649 0.000 1 689 196 196 ASN CB C 62.423 0.000 1 690 196 196 ASN N N 117.240 0.000 1 691 197 197 ASP H H 7.624 0.000 1 692 197 197 ASP C C 176.159 0.000 1 693 197 197 ASP CA C 57.820 0.000 1 694 197 197 ASP CB C 40.907 0.000 1 695 197 197 ASP N N 125.356 0.000 1 696 198 198 LEU H H 8.348 0.000 1 697 198 198 LEU C C 177.434 0.000 1 698 198 198 LEU CA C 66.600 0.000 1 699 198 198 LEU CB C 31.156 0.000 1 700 198 198 LEU N N 119.974 0.000 1 701 199 199 ASN H H 8.311 0.000 1 702 199 199 ASN C C 178.362 0.000 1 703 199 199 ASN CA C 55.809 0.000 1 704 199 199 ASN CB C 37.580 0.000 1 705 199 199 ASN N N 115.277 0.000 1 706 200 200 SER H H 7.931 0.000 1 707 200 200 SER C C 178.624 0.000 1 708 200 200 SER CA C 59.301 0.000 1 709 200 200 SER CB C 31.732 0.000 1 710 200 200 SER N N 120.656 0.000 1 711 201 201 LEU H H 7.895 0.000 1 712 201 201 LEU C C 174.930 0.000 1 713 201 201 LEU CA C 60.460 0.000 1 714 201 201 LEU CB C 37.409 0.000 1 715 201 201 LEU N N 114.474 0.000 1 716 202 202 VAL H H 7.911 0.000 1 717 202 202 VAL C C 176.102 0.000 1 718 202 202 VAL CA C 52.268 0.000 1 719 202 202 VAL CB C 37.589 0.000 1 720 202 202 VAL N N 119.327 0.000 1 721 203 203 ASN H H 6.852 0.000 1 722 203 203 ASN C C 174.958 0.000 1 723 203 203 ASN CA C 53.925 0.000 1 724 203 203 ASN CB C 29.240 0.000 1 725 203 203 ASN N N 117.155 0.000 1 726 204 204 LYS H H 8.542 0.000 1 727 204 204 LYS C C 173.096 0.000 1 728 204 204 LYS CA C 60.684 0.000 1 729 204 204 LYS CB C 35.987 0.000 1 730 204 204 LYS N N 123.455 0.000 1 731 205 205 TYR H H 7.722 0.000 1 732 205 205 TYR C C 175.043 0.000 1 733 205 205 TYR CA C 52.251 0.000 1 734 205 205 TYR CB C 38.927 0.000 1 735 205 205 TYR N N 122.550 0.000 1 736 206 206 ASN H H 8.603 0.000 1 737 206 206 ASN C C 174.663 0.000 1 738 206 206 ASN CA C 60.885 0.000 1 739 206 206 ASN CB C 62.252 0.000 1 740 206 206 ASN N N 113.638 0.000 1 741 207 207 GLN H H 8.612 0.000 1 742 207 207 GLN C C 175.425 0.000 1 743 207 207 GLN CA C 53.750 0.000 1 744 207 207 GLN CB C 38.988 0.000 1 745 207 207 GLN N N 116.092 0.000 1 746 208 208 ILE H H 7.476 0.000 1 747 208 208 ILE C C 173.646 0.000 1 748 208 208 ILE CA C 60.697 0.000 1 749 208 208 ILE CB C 69.840 0.000 1 750 208 208 ILE N N 107.084 0.000 1 751 209 209 ASN H H 6.901 0.000 1 752 209 209 ASN C C 174.921 0.000 1 753 209 209 ASN CA C 62.514 0.000 1 754 209 209 ASN CB C 32.881 0.000 1 755 209 209 ASN N N 120.679 0.000 1 756 210 210 SER H H 9.048 0.000 1 757 210 210 SER C C 175.177 0.000 1 758 210 210 SER CA C 55.491 0.000 1 759 210 210 SER CB C 41.459 0.000 1 760 210 210 SER N N 125.073 0.000 1 761 211 211 ASN H H 7.034 0.000 1 762 211 211 ASN C C 171.750 0.000 1 763 211 211 ASN CA C 53.887 0.000 1 764 211 211 ASN CB C 41.475 0.000 1 765 211 211 ASN N N 114.994 0.000 1 766 212 212 THR C C 175.000 0.000 1 767 212 212 THR CA C 61.799 0.000 1 768 212 212 THR CB C 32.349 0.000 1 769 213 213 VAL H H 8.205 0.000 1 770 213 213 VAL C C 177.610 0.000 1 771 213 213 VAL CA C 52.682 0.000 1 772 213 213 VAL CB C 17.347 0.000 1 773 213 213 VAL N N 122.266 0.000 1 774 214 214 LEU H H 7.870 0.000 1 775 214 214 LEU C C 175.478 0.000 1 776 214 214 LEU CA C 53.336 0.000 1 777 214 214 LEU CB C 28.809 0.000 1 778 214 214 LEU N N 120.304 0.000 1 779 215 215 PHE H H 8.162 0.000 1 780 215 215 PHE C C 174.534 0.000 1 781 215 215 PHE CA C 57.524 0.000 1 782 215 215 PHE CB C 63.945 0.000 1 783 215 215 PHE N N 115.288 0.000 1 784 216 216 PRO C C 174.113 0.000 1 785 216 216 PRO CA C 44.854 0.000 1 786 216 216 PRO N N 111.517 0.000 1 787 217 217 ALA H H 8.141 0.000 1 788 217 217 ALA C C 175.018 0.000 1 789 217 217 ALA CA C 58.075 0.000 1 790 217 217 ALA CB C 63.572 0.000 1 791 217 217 ALA N N 115.379 0.000 1 792 218 218 GLN H H 8.182 0.000 1 793 218 218 GLN C C 172.622 0.000 1 794 218 218 GLN CA C 43.936 0.000 1 795 218 218 GLN N N 112.453 0.000 1 796 219 219 SER H H 7.964 0.000 1 797 219 219 SER C C 175.862 0.000 1 798 219 219 SER CA C 61.548 0.000 1 799 219 219 SER CB C 32.460 0.000 1 800 219 219 SER N N 121.446 0.000 1 801 220 220 GLY H H 9.247 0.000 1 802 220 220 GLY C C 175.613 0.000 1 803 220 220 GLY CA C 54.765 0.000 1 804 220 220 GLY N N 131.670 0.000 1 805 221 221 SER H H 7.937 0.000 1 806 221 221 SER C C 174.748 0.000 1 807 221 221 SER CA C 58.636 0.000 1 808 221 221 SER CB C 33.570 0.000 1 809 221 221 SER N N 113.849 0.000 1 810 222 222 GLY H H 9.106 0.000 1 811 222 222 GLY C C 177.902 0.000 1 812 222 222 GLY CA C 49.334 0.000 1 813 222 222 GLY N N 124.755 0.000 1 814 223 223 VAL H H 8.318 0.000 1 815 223 223 VAL C C 175.443 0.000 1 816 223 223 VAL CA C 61.317 0.000 1 817 223 223 VAL CB C 70.483 0.000 1 818 223 223 VAL N N 109.420 0.000 1 819 224 224 LYS H H 9.045 0.000 1 820 224 224 LYS C C 178.209 0.000 1 821 224 224 LYS CA C 59.791 0.000 1 822 224 224 LYS CB C 28.264 0.000 1 823 224 224 LYS N N 122.826 0.000 1 824 225 225 VAL H H 8.382 0.000 1 825 225 225 VAL C C 181.286 0.000 1 826 225 225 VAL CA C 54.760 0.000 1 827 225 225 VAL CB C 17.675 0.000 1 828 225 225 VAL N N 118.400 0.000 1 829 226 226 ALA H H 7.552 0.000 1 830 226 226 ALA C C 178.871 0.000 1 831 226 226 ALA CA C 58.632 0.000 1 832 226 226 ALA CB C 30.366 0.000 1 833 226 226 ALA N N 118.259 0.000 1 834 227 227 THR H H 8.454 0.000 1 835 227 227 THR C C 179.470 0.000 1 836 227 227 THR CA C 55.102 0.000 1 837 227 227 THR CB C 17.808 0.000 1 838 227 227 THR N N 120.952 0.000 1 839 228 228 GLU H H 8.792 0.000 1 840 228 228 GLU C C 179.474 0.000 1 841 228 228 GLU CA C 59.998 0.000 1 842 228 228 GLU CB C 28.292 0.000 1 843 228 228 GLU N N 116.670 0.000 1 844 229 229 ALA H H 7.630 0.000 1 845 229 229 ALA C C 179.367 0.000 1 846 229 229 ALA CA C 58.567 0.000 1 847 229 229 ALA CB C 27.258 0.000 1 848 229 229 ALA N N 120.985 0.000 1 849 230 230 GLU H H 7.440 0.000 1 850 230 230 GLU C C 178.132 0.000 1 851 230 230 GLU CA C 61.344 0.000 1 852 230 230 GLU CB C 27.744 0.000 1 853 230 230 GLU N N 120.956 0.000 1 854 231 231 ALA H H 8.480 0.000 1 855 231 231 ALA C C 179.073 0.000 1 856 231 231 ALA CA C 58.718 0.000 1 857 231 231 ALA CB C 41.482 0.000 1 858 231 231 ALA N N 121.812 0.000 1 859 232 232 ARG H H 7.334 0.000 1 860 232 232 ARG C C 177.755 0.000 1 861 232 232 ARG CA C 60.551 0.000 1 862 232 232 ARG CB C 62.535 0.000 1 863 232 232 ARG N N 110.722 0.000 1 864 233 233 GLN H H 7.880 0.000 1 865 233 233 GLN C C 176.900 0.000 1 866 233 233 GLN CA C 58.152 0.000 1 867 233 233 GLN CB C 27.910 0.000 1 868 233 233 GLN N N 124.430 0.000 1 869 234 234 TRP H H 8.186 0.000 1 870 234 234 TRP C C 175.196 0.000 1 871 234 234 TRP CA C 54.426 0.000 1 872 234 234 TRP CB C 40.702 0.000 1 873 234 234 TRP N N 114.464 0.000 1 874 235 235 LEU H H 7.792 0.000 1 875 235 235 LEU C C 174.341 0.000 1 876 235 235 LEU CA C 53.410 0.000 1 877 235 235 LEU CB C 36.859 0.000 1 878 235 235 LEU N N 116.286 0.000 1 879 236 236 SER H H 7.644 0.000 1 880 236 236 SER C C 174.415 0.000 1 881 236 236 SER CA C 51.658 0.000 1 882 236 236 SER CB C 41.665 0.000 1 883 236 236 SER N N 119.086 0.000 1 884 237 237 GLU C C 177.212 0.000 1 885 237 237 GLU CA C 61.632 0.000 1 886 237 237 GLU CB C 31.953 0.000 1 887 238 238 LEU H H 8.666 0.000 1 888 238 238 LEU C C 177.036 0.000 1 889 238 238 LEU CA C 55.898 0.000 1 890 238 238 LEU CB C 37.451 0.000 1 891 238 238 LEU N N 117.742 0.000 1 892 239 239 ASN C C 175.586 0.000 1 893 240 240 LEU H H 7.940 0.000 1 894 240 240 LEU C C 172.999 0.000 1 895 240 240 LEU CA C 60.927 0.000 1 896 240 240 LEU CB C 27.321 0.000 1 897 240 240 LEU N N 119.533 0.000 1 898 241 241 PRO C C 175.460 0.000 1 899 241 241 PRO CA C 54.028 0.000 1 900 241 241 PRO CB C 41.653 0.000 1 901 241 241 PRO N N 122.246 0.000 1 902 242 242 ASN H H 9.083 0.000 1 903 242 242 ASN C C 175.136 0.000 1 904 242 242 ASN CA C 54.094 0.000 1 905 242 242 ASN CB C 35.012 0.000 1 906 242 242 ASN N N 127.417 0.000 1 907 243 243 SER H H 8.330 0.000 1 908 243 243 SER C C 174.128 0.000 1 909 243 243 SER CA C 56.819 0.000 1 910 243 243 SER CB C 63.619 0.000 1 911 243 243 SER N N 117.573 0.000 1 912 244 244 CYS H H 8.153 0.000 1 913 244 244 CYS C C 174.422 0.000 1 914 244 244 CYS CA C 58.639 0.000 1 915 244 244 CYS CB C 39.611 0.000 1 916 244 244 CYS N N 125.344 0.000 1 917 245 245 LEU H H 8.123 0.000 1 918 245 245 LEU CA C 46.194 0.000 1 919 245 245 LEU N N 116.796 0.000 1 920 246 246 LYS C C 174.492 0.000 1 921 246 246 LYS CA C 57.909 0.000 1 922 246 246 LYS CB C 63.305 0.000 1 923 247 247 SER H H 7.996 0.000 1 924 247 247 SER C C 172.044 0.000 1 925 247 247 SER CA C 45.355 0.000 1 926 247 247 SER N N 110.905 0.000 1 927 248 248 TYR H H 9.555 0.000 1 928 248 248 TYR C C 174.599 0.000 1 929 248 248 TYR CA C 57.564 0.000 1 930 248 248 TYR CB C 43.313 0.000 1 931 248 248 TYR N N 124.144 0.000 1 932 249 249 GLY H H 9.038 0.000 1 933 249 249 GLY C C 173.824 0.000 1 934 249 249 GLY CA C 58.360 0.000 1 935 249 249 GLY N N 111.136 0.000 1 936 250 250 SER H H 8.836 0.000 1 937 250 250 SER C C 176.523 0.000 1 938 250 250 SER CA C 60.552 0.000 1 939 250 250 SER CB C 33.258 0.000 1 940 250 250 SER N N 120.257 0.000 1 941 251 251 GLY H H 9.259 0.000 1 942 251 251 GLY C C 172.796 0.000 1 943 251 251 GLY CA C 60.678 0.000 1 944 251 251 GLY N N 120.242 0.000 1 945 252 252 TYR H H 7.552 0.000 1 946 252 252 TYR C C 175.638 0.000 1 947 252 252 TYR CA C 61.855 0.000 1 948 252 252 TYR CB C 31.598 0.000 1 949 252 252 TYR N N 109.172 0.000 1 950 253 253 VAL H H 7.557 0.000 1 951 253 253 VAL C C 175.912 0.000 1 952 253 253 VAL CA C 53.799 0.000 1 953 253 253 VAL CB C 40.015 0.000 1 954 253 253 VAL N N 119.149 0.000 1 955 254 254 VAL H H 8.208 0.000 1 956 254 254 VAL C C 177.505 0.000 1 957 254 254 VAL CA C 53.949 0.000 1 958 254 254 VAL CB C 41.353 0.000 1 959 254 254 VAL N N 126.621 0.000 1 960 255 255 THR H H 8.309 0.000 1 961 255 255 THR N N 117.182 0.000 1 962 256 256 VAL C C 178.878 0.000 1 963 256 256 VAL CA C 65.910 0.000 1 964 256 256 VAL CB C 30.594 0.000 1 965 257 257 ASP H H 6.752 0.000 1 966 257 257 ASP C C 179.042 0.000 1 967 257 257 ASP CA C 56.860 0.000 1 968 257 257 ASP CB C 41.801 0.000 1 969 257 257 ASP N N 114.945 0.000 1 970 258 258 LEU C C 179.944 0.000 1 971 259 259 THR H H 8.364 0.000 1 972 259 259 THR C C 178.099 0.000 1 973 259 259 THR CA C 58.145 0.000 1 974 259 259 THR CB C 31.282 0.000 1 975 259 259 THR N N 121.967 0.000 1 976 260 260 PRO C C 180.419 0.000 1 977 260 260 PRO CA C 59.246 0.000 1 978 260 260 PRO CB C 32.865 0.000 1 979 260 260 PRO N N 118.569 0.000 1 980 261 261 LEU H H 7.968 0.000 1 981 261 261 LEU C C 177.181 0.000 1 982 261 261 LEU CA C 67.491 0.000 1 983 261 261 LEU CB C 31.049 0.000 1 984 261 261 LEU N N 119.078 0.000 1 985 262 262 GLN H H 7.936 0.000 1 986 262 262 GLN C C 179.905 0.000 1 987 262 262 GLN CA C 58.626 0.000 1 988 262 262 GLN CB C 27.721 0.000 1 989 262 262 GLN N N 120.285 0.000 1 990 263 263 LYS H H 8.735 0.000 1 991 263 263 LYS C C 179.779 0.000 1 992 263 263 LYS CA C 56.662 0.000 1 993 263 263 LYS CB C 39.353 0.000 1 994 263 263 LYS N N 120.825 0.000 1 995 264 264 MET H H 7.988 0.000 1 996 264 264 MET C C 179.873 0.000 1 997 264 264 MET CA C 64.819 0.000 1 998 264 264 MET CB C 36.951 0.000 1 999 264 264 MET N N 122.338 0.000 1 1000 265 265 VAL H H 8.407 0.000 1 1001 265 265 VAL C C 179.520 0.000 1 1002 265 265 VAL CA C 57.381 0.000 1 1003 265 265 VAL CB C 39.057 0.000 1 1004 265 265 VAL N N 123.843 0.000 1 1005 266 266 GLN H H 8.005 0.000 1 1006 266 266 GLN C C 174.976 0.000 1 1007 266 266 GLN CA C 45.550 0.000 1 1008 266 266 GLN N N 106.388 0.000 1 1009 267 267 ASP H H 7.517 0.000 1 1010 267 267 ASP C C 177.450 0.000 1 1011 267 267 ASP CA C 56.085 0.000 1 1012 267 267 ASP CB C 41.953 0.000 1 1013 267 267 ASP N N 120.092 0.000 1 1014 268 268 ILE H H 7.040 0.000 1 1015 268 268 ILE C C 171.774 0.000 1 1016 268 268 ILE CA C 42.819 0.000 1 1017 268 268 ILE N N 104.054 0.000 1 1018 269 269 ASP H H 8.070 0.000 1 1019 269 269 ASP C C 176.167 0.000 1 1020 269 269 ASP CA C 49.515 0.000 1 1021 269 269 ASP CB C 17.716 0.000 1 1022 269 269 ASP N N 122.731 0.000 1 1023 270 270 GLY C C 176.723 0.000 1 1024 270 270 GLY CA C 61.854 0.000 1 1025 271 271 LEU H H 8.243 0.000 1 1026 271 271 LEU C C 175.510 0.000 1 1027 271 271 LEU CA C 43.813 0.000 1 1028 271 271 LEU N N 106.522 0.000 1 1029 272 272 GLY H H 8.069 0.000 1 1030 272 272 GLY C C 177.057 0.000 1 1031 272 272 GLY N N 123.659 0.000 1 1032 273 273 ALA H H 8.087 0.000 1 1033 273 273 ALA C C 176.360 0.000 1 1034 273 273 ALA CA C 53.023 0.000 1 1035 273 273 ALA CB C 39.445 0.000 1 1036 273 273 ALA N N 118.136 0.000 1 1037 274 274 PRO C C 172.913 0.000 1 1038 274 274 PRO CA C 60.530 0.000 1 1039 274 274 PRO CB C 62.021 0.000 1 1040 274 274 PRO N N 111.226 0.000 1 1041 275 275 GLY H H 7.898 0.000 1 1042 275 275 GLY C C 174.473 0.000 1 1043 275 275 GLY CA C 53.971 0.000 1 1044 275 275 GLY N N 119.745 0.000 1 1045 276 276 LYS H H 8.507 0.000 1 1046 276 276 LYS C C 174.710 0.000 1 1047 276 276 LYS CA C 53.618 0.000 1 1048 276 276 LYS CB C 45.523 0.000 1 1049 276 276 LYS N N 123.371 0.000 1 1050 277 277 ASP H H 8.860 0.000 1 1051 277 277 ASP C C 175.356 0.000 1 1052 277 277 ASP CA C 55.003 0.000 1 1053 277 277 ASP CB C 30.203 0.000 1 1054 277 277 ASP N N 129.294 0.000 1 1055 278 278 SER H H 9.138 0.000 1 1056 278 278 SER C C 173.832 0.000 1 1057 278 278 SER CA C 53.871 0.000 1 1058 278 278 SER CB C 37.363 0.000 1 1059 278 278 SER N N 123.868 0.000 1 1060 279 279 LYS H H 8.358 0.000 1 1061 279 279 LYS C C 176.496 0.000 1 1062 279 279 LYS CA C 53.157 0.000 1 1063 279 279 LYS CB C 41.012 0.000 1 1064 279 279 LYS N N 119.552 0.000 1 1065 280 280 LEU H H 8.022 0.000 1 1066 280 280 LEU C C 177.195 0.000 1 1067 280 280 LEU CA C 56.761 0.000 1 1068 280 280 LEU CB C 37.890 0.000 1 1069 280 280 LEU N N 119.245 0.000 1 1070 281 281 GLU H H 8.529 0.000 1 1071 281 281 GLU C C 180.896 0.000 1 1072 281 281 GLU CA C 55.158 0.000 1 1073 281 281 GLU CB C 17.131 0.000 1 1074 281 281 GLU N N 122.127 0.000 1 1075 282 282 MET H H 8.002 0.000 1 1076 282 282 MET C C 179.357 0.000 1 1077 282 282 MET CA C 58.820 0.000 1 1078 282 282 MET CB C 31.611 0.000 1 1079 282 282 MET N N 122.628 0.000 1 1080 283 283 ASP H H 8.416 0.000 1 1081 283 283 ASP C C 177.008 0.000 1 1082 283 283 ASP CA C 61.190 0.000 1 1083 283 283 ASP CB C 37.351 0.000 1 1084 283 283 ASP N N 120.799 0.000 1 1085 284 284 ASN H H 8.801 0.000 1 1086 284 284 ASN C C 179.318 0.000 1 1087 284 284 ASN CA C 58.490 0.000 1 1088 284 284 ASN CB C 27.163 0.000 1 1089 284 284 ASN N N 119.104 0.000 1 1090 285 285 ALA H H 7.710 0.000 1 1091 285 285 ALA C C 180.618 0.000 1 1092 285 285 ALA CA C 54.610 0.000 1 1093 285 285 ALA CB C 17.266 0.000 1 1094 285 285 ALA N N 122.393 0.000 1 1095 286 286 LYS H H 8.197 0.000 1 1096 286 286 LYS C C 178.566 0.000 1 1097 286 286 LYS CA C 61.096 0.000 1 1098 286 286 LYS CB C 26.946 0.000 1 1099 286 286 LYS N N 122.240 0.000 1 1100 287 287 TYR H H 9.094 0.000 1 1101 287 287 TYR C C 178.129 0.000 1 1102 287 287 TYR CA C 58.191 0.000 1 1103 287 287 TYR CB C 27.185 0.000 1 1104 287 287 TYR N N 121.216 0.000 1 1105 288 288 GLN H H 7.795 0.000 1 1106 288 288 GLN C C 177.693 0.000 1 1107 288 288 GLN CA C 61.436 0.000 1 1108 288 288 GLN CB C 62.268 0.000 1 1109 288 288 GLN N N 114.556 0.000 1 1110 289 289 ALA H H 7.405 0.000 1 1111 289 289 ALA C C 176.927 0.000 1 1112 289 289 ALA CA C 46.455 0.000 1 1113 289 289 ALA N N 110.261 0.000 1 1114 290 290 TRP H H 8.143 0.000 1 1115 290 290 TRP C C 177.878 0.000 1 1116 290 290 TRP CA C 61.390 0.000 1 1117 290 290 TRP CB C 38.276 0.000 1 1118 290 290 TRP N N 127.943 0.000 1 1119 291 291 GLN H H 8.616 0.000 1 1120 291 291 GLN C C 178.860 0.000 1 1121 291 291 GLN CA C 57.647 0.000 1 1122 291 291 GLN CB C 30.548 0.000 1 1123 291 291 GLN N N 120.109 0.000 1 1124 292 292 SER H H 7.532 0.000 1 1125 292 292 SER C C 180.857 0.000 1 1126 292 292 SER CA C 54.594 0.000 1 1127 292 292 SER CB C 16.970 0.000 1 1128 292 292 SER N N 120.369 0.000 1 1129 293 293 GLY H H 7.129 0.000 1 1130 293 293 GLY C C 178.255 0.000 1 1131 293 293 GLY CA C 56.799 0.000 1 1132 293 293 GLY N N 116.214 0.000 1 1133 294 294 PHE H H 7.932 0.000 1 1134 294 294 PHE C C 178.883 0.000 1 1135 294 294 PHE CA C 59.555 0.000 1 1136 294 294 PHE CB C 28.318 0.000 1 1137 294 294 PHE N N 123.666 0.000 1 1138 295 295 LYS H H 8.524 0.000 1 1139 295 295 LYS C C 179.219 0.000 1 1140 295 295 LYS CA C 58.550 0.000 1 1141 295 295 LYS CB C 28.035 0.000 1 1142 295 295 LYS N N 118.842 0.000 1 1143 296 296 ALA H H 7.632 0.000 1 1144 296 296 ALA C C 178.161 0.000 1 1145 296 296 ALA CA C 56.124 0.000 1 1146 296 296 ALA CB C 37.224 0.000 1 1147 296 296 ALA N N 120.300 0.000 1 1148 297 297 GLN H H 7.548 0.000 1 1149 297 297 GLN C C 177.615 0.000 1 1150 297 297 GLN CA C 59.218 0.000 1 1151 297 297 GLN CB C 32.373 0.000 1 1152 297 297 GLN N N 120.287 0.000 1 1153 298 298 GLU H H 8.246 0.000 1 1154 298 298 GLU C C 179.297 0.000 1 1155 298 298 GLU CA C 59.616 0.000 1 1156 298 298 GLU CB C 31.649 0.000 1 1157 298 298 GLU N N 120.253 0.000 1 1158 299 299 GLU H H 8.839 0.000 1 1159 299 299 GLU C C 177.213 0.000 1 1160 299 299 GLU CA C 66.211 0.000 1 1161 299 299 GLU CB C 67.895 0.000 1 1162 299 299 GLU N N 117.204 0.000 1 1163 300 300 ASN H H 8.081 0.000 1 1164 300 300 ASN C C 175.267 0.000 1 1165 300 300 ASN CA C 67.359 0.000 1 1166 300 300 ASN N N 123.178 0.000 1 1167 301 301 MET H H 7.690 0.000 1 1168 301 301 MET C C 179.352 0.000 1 1169 301 301 MET CA C 58.207 0.000 1 1170 301 301 MET CB C 40.337 0.000 1 1171 301 301 MET N N 121.627 0.000 1 1172 302 302 LYS H H 8.513 0.000 1 1173 302 302 LYS C C 178.997 0.000 1 1174 302 302 LYS CA C 58.856 0.000 1 1175 302 302 LYS CB C 27.570 0.000 1 1176 302 302 LYS N N 120.765 0.000 1 1177 303 303 THR H H 8.742 0.000 1 1178 303 303 THR C C 177.022 0.000 1 1179 303 303 THR CA C 66.208 0.000 1 1180 303 303 THR CB C 68.077 0.000 1 1181 303 303 THR N N 118.473 0.000 1 1182 304 304 THR H H 8.318 0.000 1 1183 304 304 THR C C 179.148 0.000 1 1184 304 304 THR CA C 58.107 0.000 1 1185 304 304 THR CB C 40.074 0.000 1 1186 304 304 THR N N 121.970 0.000 1 1187 305 305 LEU H H 8.289 0.000 1 1188 305 305 LEU C C 176.780 0.000 1 1189 305 305 LEU CA C 67.068 0.000 1 1190 305 305 LEU CB C 67.716 0.000 1 1191 305 305 LEU N N 115.042 0.000 1 1192 306 306 GLN H H 8.212 0.000 1 1193 306 306 GLN C C 178.808 0.000 1 1194 306 306 GLN CA C 58.528 0.000 1 1195 306 306 GLN CB C 27.365 0.000 1 1196 306 306 GLN N N 124.372 0.000 1 1197 307 307 THR H H 8.163 0.000 1 1198 307 307 THR C C 180.301 0.000 1 1199 307 307 THR CA C 59.914 0.000 1 1200 307 307 THR CB C 31.808 0.000 1 1201 307 307 THR N N 121.750 0.000 1 1202 308 308 LEU H H 8.254 0.000 1 1203 308 308 LEU C C 176.121 0.000 1 1204 308 308 LEU CA C 60.310 0.000 1 1205 308 308 LEU CB C 36.587 0.000 1 1206 308 308 LEU N N 122.827 0.000 1 1207 309 309 THR C C 178.982 0.000 1 1208 310 310 GLN H H 8.024 0.000 1 1209 310 310 GLN C C 177.273 0.000 1 1210 310 310 GLN CA C 55.685 0.000 1 1211 310 310 GLN CB C 37.257 0.000 1 1212 310 310 GLN N N 119.311 0.000 1 1213 311 311 LYS H H 7.513 0.000 1 1214 311 311 LYS C C 178.824 0.000 1 1215 311 311 LYS CA C 54.916 0.000 1 1216 311 311 LYS CB C 18.022 0.000 1 1217 311 311 LYS N N 125.822 0.000 1 1218 312 312 TYR H H 8.730 0.000 1 1219 312 312 TYR C C 178.602 0.000 1 1220 312 312 TYR CA C 56.204 0.000 1 1221 312 312 TYR CB C 38.266 0.000 1 1222 312 312 TYR N N 118.486 0.000 1 1223 313 313 SER C C 175.890 0.000 1 1224 313 313 SER CB C 62.470 0.000 1 1225 314 314 ASN H H 7.946 0.000 1 1226 314 314 ASN C C 179.234 0.000 1 1227 314 314 ASN CA C 58.392 0.000 1 1228 314 314 ASN CB C 40.626 0.000 1 1229 314 314 ASN N N 125.261 0.000 1 1230 315 315 ALA H H 7.946 0.000 1 1231 315 315 ALA C C 177.182 0.000 1 1232 315 315 ALA CA C 62.398 0.000 1 1233 315 315 ALA CB C 37.500 0.000 1 1234 315 315 ALA N N 120.613 0.000 1 1235 316 316 ASN H H 8.395 0.000 1 1236 316 316 ASN C C 178.100 0.000 1 1237 316 316 ASN CA C 57.381 0.000 1 1238 316 316 ASN N N 118.174 0.000 1 1239 317 317 SER H H 8.351 0.000 1 1240 317 317 SER C C 178.227 0.000 1 1241 317 317 SER CA C 56.006 0.000 1 1242 317 317 SER CB C 37.396 0.000 1 1243 317 317 SER N N 117.008 0.000 1 1244 318 318 LEU H H 7.381 0.000 1 1245 318 318 LEU C C 179.117 0.000 1 1246 318 318 LEU CA C 57.241 0.000 1 1247 318 318 LEU CB C 39.338 0.000 1 1248 318 318 LEU N N 120.400 0.000 1 1249 319 319 TYR H H 8.059 0.000 1 1250 319 319 TYR C C 178.504 0.000 1 1251 319 319 TYR CA C 66.835 0.000 1 1252 319 319 TYR CB C 29.772 0.000 1 1253 319 319 TYR N N 121.005 0.000 1 1254 320 320 ASP H H 8.710 0.000 1 1255 320 320 ASP C C 179.934 0.000 1 1256 320 320 ASP CA C 59.838 0.000 1 1257 320 320 ASP CB C 31.455 0.000 1 1258 320 320 ASP N N 121.252 0.000 1 1259 321 321 ASN H H 7.566 0.000 1 1260 321 321 ASN C C 179.888 0.000 1 1261 321 321 ASN CA C 65.812 0.000 1 1262 321 321 ASN CB C 30.451 0.000 1 1263 321 321 ASN N N 121.110 0.000 1 1264 322 322 LEU H H 8.010 0.000 1 1265 322 322 LEU C C 178.199 0.000 1 1266 322 322 LEU CA C 58.203 0.000 1 1267 322 322 LEU CB C 41.231 0.000 1 1268 322 322 LEU N N 123.106 0.000 1 1269 323 323 VAL H H 9.240 0.000 1 1270 323 323 VAL C C 177.822 0.000 1 1271 323 323 VAL CA C 61.541 0.000 1 1272 323 323 VAL CB C 62.432 0.000 1 1273 323 323 VAL N N 114.769 0.000 1 1274 324 324 LYS H H 8.532 0.000 1 1275 324 324 LYS C C 177.360 0.000 1 1276 324 324 LYS CA C 61.385 0.000 1 1277 324 324 LYS CB C 62.365 0.000 1 1278 324 324 LYS N N 117.482 0.000 1 1279 325 325 VAL H H 8.074 0.000 1 1280 325 325 VAL C C 176.591 0.000 1 1281 325 325 VAL CA C 67.079 0.000 1 1282 325 325 VAL CB C 67.939 0.000 1 1283 325 325 VAL N N 120.418 0.000 1 1284 326 326 LEU H H 8.386 0.000 1 1285 326 326 LEU C C 177.609 0.000 1 1286 326 326 LEU CA C 65.099 0.000 1 1287 326 326 LEU CB C 36.694 0.000 1 1288 326 326 LEU N N 122.876 0.000 1 1289 327 327 SER H H 8.486 0.000 1 1290 327 327 SER CA C 62.196 0.000 1 1291 327 327 SER N N 115.717 0.000 1 1292 329 329 THR C C 176.513 0.000 1 1293 330 330 ILE H H 8.352 0.000 1 1294 330 330 ILE C C 178.026 0.000 1 1295 330 330 ILE CA C 57.351 0.000 1 1296 330 330 ILE CB C 41.059 0.000 1 1297 330 330 ILE N N 123.757 0.000 1 1298 331 331 SER H H 7.979 0.000 1 1299 331 331 SER C C 179.580 0.000 1 1300 331 331 SER CA C 58.582 0.000 1 1301 331 331 SER CB C 28.536 0.000 1 1302 331 331 SER N N 119.365 0.000 1 1303 332 332 SER H H 8.070 0.000 1 1304 332 332 SER C C 177.821 0.000 1 1305 332 332 SER CA C 65.101 0.000 1 1306 332 332 SER CB C 68.433 0.000 1 1307 332 332 SER N N 115.872 0.000 1 1308 333 333 SER H H 8.047 0.000 1 1309 333 333 SER CA C 54.196 0.000 1 1310 333 333 SER CB C 17.747 0.000 1 1311 333 333 SER N N 125.206 0.000 1 1312 334 334 LEU H H 8.034 0.000 1 1313 334 334 LEU C C 178.134 0.000 1 1314 334 334 LEU CA C 58.065 0.000 1 1315 334 334 LEU CB C 31.677 0.000 1 1316 334 334 LEU N N 117.461 0.000 1 1317 335 335 GLU H H 7.797 0.000 1 1318 335 335 GLU C C 174.963 0.000 1 1319 335 335 GLU CA C 59.691 0.000 1 1320 335 335 GLU CB C 63.132 0.000 1 1321 335 335 GLU N N 115.511 0.000 1 1322 336 336 THR H H 7.643 0.000 1 1323 336 336 THR C C 176.047 0.000 1 1324 336 336 THR CA C 58.156 0.000 1 1325 336 336 THR CB C 38.623 0.000 1 1326 336 336 THR N N 121.121 0.000 1 1327 337 337 ALA H H 7.738 0.000 1 1328 337 337 ALA C C 177.048 0.000 1 1329 337 337 ALA CA C 54.924 0.000 1 1330 337 337 ALA CB C 41.301 0.000 1 1331 337 337 ALA N N 121.986 0.000 1 1332 338 338 LYS H H 64.423 0.000 1 1333 338 338 LYS C C 175.398 0.000 1 1334 338 338 LYS CA C 55.457 0.000 1 1335 338 338 LYS CB C 28.834 0.000 1 1336 338 338 LYS N N 120.938 0.000 1 1337 339 339 SER H H 7.847 0.000 1 1338 339 339 SER C C 178.938 0.000 1 1339 339 339 SER CA C 45.716 0.000 1 1340 339 339 SER N N 116.578 0.000 1 stop_ save_