data_16035 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence-specific 1H, 13C and 15N backbone resonance assignments of BamC, a component of the outer membrane protein assembly machinery in Escherichia coli ; _BMRB_accession_number 16035 _BMRB_flat_file_name bmr16035.str _Entry_type new _Submission_date 2008-11-18 _Accession_date 2008-11-18 _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 Knowles Timothy J. . 2 McClelland Darren M. . 3 Rajesh Sandya . . 4 Henderson Ian R. . 5 Overduin Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 302 "13C chemical shifts" 929 "15N chemical shifts" 302 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-11-12 update BMRB 'complete entry citation' 2009-07-22 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Secondary structure and (1)H, (13)C and (15)N backbone resonance assignments of BamC, a component of the outer membrane protein assembly machinery in Escherichia coli.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19888691 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Knowles Timothy J. . 2 McClelland Darren M. . 3 Rajesh Sandya . . 4 Henderson Ian R. . 5 Overduin Michael . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 3 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 203 _Page_last 206 _Year 2009 _Details . loop_ _Keyword NlpB BamC Omp85 YaeT stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name BamC _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label BamC $BamC stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_BamC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BamC _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Outer membrane protein biogenesis' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 322 _Mol_residue_sequence ; HMGSSDSRYKRQVSGDEAYL EAAPLAELHAPAGMILPVTS GDYAIPVTNGSGAVGKALDI RPPAQPLALVSGARTQFTGD TASLLVENGRGNTLWPQVVS VLQAKNYTITQRDDAGQTLT TDWVQWNRLDEDEQYRGRYQ ISVKPQGYQQAVTVKLLNLE QAGKPVADAASMQRYSTEMM NVISAGLDKSATDAANAAQN RASTTMDVQSAADDTGLPML VVRGPFNVVWQRLPAALEKV GMKVTDSTRSQGNMAVTYKP LSDSDWQELGASDPGLASGD YKLQVGDLDNRSSLQFIDPK GHTLTQSQNDALVAVFQAAF SK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 23 HIS 2 24 MET 3 25 GLY 4 26 SER 5 27 SER 6 28 ASP 7 29 SER 8 30 ARG 9 31 TYR 10 32 LYS 11 33 ARG 12 34 GLN 13 35 VAL 14 36 SER 15 37 GLY 16 38 ASP 17 39 GLU 18 40 ALA 19 41 TYR 20 42 LEU 21 43 GLU 22 44 ALA 23 45 ALA 24 46 PRO 25 47 LEU 26 48 ALA 27 49 GLU 28 50 LEU 29 51 HIS 30 52 ALA 31 53 PRO 32 54 ALA 33 55 GLY 34 56 MET 35 57 ILE 36 58 LEU 37 59 PRO 38 60 VAL 39 61 THR 40 62 SER 41 63 GLY 42 64 ASP 43 65 TYR 44 66 ALA 45 67 ILE 46 68 PRO 47 69 VAL 48 70 THR 49 71 ASN 50 72 GLY 51 73 SER 52 74 GLY 53 75 ALA 54 76 VAL 55 77 GLY 56 78 LYS 57 79 ALA 58 80 LEU 59 81 ASP 60 82 ILE 61 83 ARG 62 84 PRO 63 85 PRO 64 86 ALA 65 87 GLN 66 88 PRO 67 89 LEU 68 90 ALA 69 91 LEU 70 92 VAL 71 93 SER 72 94 GLY 73 95 ALA 74 96 ARG 75 97 THR 76 98 GLN 77 99 PHE 78 100 THR 79 101 GLY 80 102 ASP 81 103 THR 82 104 ALA 83 105 SER 84 106 LEU 85 107 LEU 86 108 VAL 87 109 GLU 88 110 ASN 89 111 GLY 90 112 ARG 91 113 GLY 92 114 ASN 93 115 THR 94 116 LEU 95 117 TRP 96 118 PRO 97 119 GLN 98 120 VAL 99 121 VAL 100 122 SER 101 123 VAL 102 124 LEU 103 125 GLN 104 126 ALA 105 127 LYS 106 128 ASN 107 129 TYR 108 130 THR 109 131 ILE 110 132 THR 111 133 GLN 112 134 ARG 113 135 ASP 114 136 ASP 115 137 ALA 116 138 GLY 117 139 GLN 118 140 THR 119 141 LEU 120 142 THR 121 143 THR 122 144 ASP 123 145 TRP 124 146 VAL 125 147 GLN 126 148 TRP 127 149 ASN 128 150 ARG 129 151 LEU 130 152 ASP 131 153 GLU 132 154 ASP 133 155 GLU 134 156 GLN 135 157 TYR 136 158 ARG 137 159 GLY 138 160 ARG 139 161 TYR 140 162 GLN 141 163 ILE 142 164 SER 143 165 VAL 144 166 LYS 145 167 PRO 146 168 GLN 147 169 GLY 148 170 TYR 149 171 GLN 150 172 GLN 151 173 ALA 152 174 VAL 153 175 THR 154 176 VAL 155 177 LYS 156 178 LEU 157 179 LEU 158 180 ASN 159 181 LEU 160 182 GLU 161 183 GLN 162 184 ALA 163 185 GLY 164 186 LYS 165 187 PRO 166 188 VAL 167 189 ALA 168 190 ASP 169 191 ALA 170 192 ALA 171 193 SER 172 194 MET 173 195 GLN 174 196 ARG 175 197 TYR 176 198 SER 177 199 THR 178 200 GLU 179 201 MET 180 202 MET 181 203 ASN 182 204 VAL 183 205 ILE 184 206 SER 185 207 ALA 186 208 GLY 187 209 LEU 188 210 ASP 189 211 LYS 190 212 SER 191 213 ALA 192 214 THR 193 215 ASP 194 216 ALA 195 217 ALA 196 218 ASN 197 219 ALA 198 220 ALA 199 221 GLN 200 222 ASN 201 223 ARG 202 224 ALA 203 225 SER 204 226 THR 205 227 THR 206 228 MET 207 229 ASP 208 230 VAL 209 231 GLN 210 232 SER 211 233 ALA 212 234 ALA 213 235 ASP 214 236 ASP 215 237 THR 216 238 GLY 217 239 LEU 218 240 PRO 219 241 MET 220 242 LEU 221 243 VAL 222 244 VAL 223 245 ARG 224 246 GLY 225 247 PRO 226 248 PHE 227 249 ASN 228 250 VAL 229 251 VAL 230 252 TRP 231 253 GLN 232 254 ARG 233 255 LEU 234 256 PRO 235 257 ALA 236 258 ALA 237 259 LEU 238 260 GLU 239 261 LYS 240 262 VAL 241 263 GLY 242 264 MET 243 265 LYS 244 266 VAL 245 267 THR 246 268 ASP 247 269 SER 248 270 THR 249 271 ARG 250 272 SER 251 273 GLN 252 274 GLY 253 275 ASN 254 276 MET 255 277 ALA 256 278 VAL 257 279 THR 258 280 TYR 259 281 LYS 260 282 PRO 261 283 LEU 262 284 SER 263 285 ASP 264 286 SER 265 287 ASP 266 288 TRP 267 289 GLN 268 290 GLU 269 291 LEU 270 292 GLY 271 293 ALA 272 294 SER 273 295 ASP 274 296 PRO 275 297 GLY 276 298 LEU 277 299 ALA 278 300 SER 279 301 GLY 280 302 ASP 281 303 TYR 282 304 LYS 283 305 LEU 284 306 GLN 285 307 VAL 286 308 GLY 287 309 ASP 288 310 LEU 289 311 ASP 290 312 ASN 291 313 ARG 292 314 SER 293 315 SER 294 316 LEU 295 317 GLN 296 318 PHE 297 319 ILE 298 320 ASP 299 321 PRO 300 322 LYS 301 323 GLY 302 324 HIS 303 325 THR 304 326 LEU 305 327 THR 306 328 GLN 307 329 SER 308 330 GLN 309 331 ASN 310 332 ASP 311 333 ALA 312 334 LEU 313 335 VAL 314 336 ALA 315 337 VAL 316 338 PHE 317 339 GLN 318 340 ALA 319 341 ALA 320 342 PHE 321 343 SER 322 344 LYS 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 BMRB 17521 BamC 75.78 249 100.00 100.00 3.46e-174 PDB 2LAE "Nmr Solution Structure Of The C-Terminal Domain Of The E. Coli Lipoprotein Bamc" 75.78 246 100.00 100.00 2.16e-174 PDB 2LAF "Nmr Solution Structure Of The N-Terminal Domain Of The E. Coli Lipoprotein Bamc" 75.78 246 100.00 100.00 2.16e-174 PDB 3TGO "Crystal Structure Of The E. Coli Bamcd Complex" 100.00 323 99.69 99.69 0.00e+00 DBJ BAA16354 "lipoprotein [Escherichia coli str. K12 substr. W3110]" 99.07 344 100.00 100.00 0.00e+00 DBJ BAB36762 "lipoprotein-34 [Escherichia coli O157:H7 str. Sakai]" 99.07 345 100.00 100.00 0.00e+00 DBJ BAG78285 "lipoprotein [Escherichia coli SE11]" 99.07 344 100.00 100.00 0.00e+00 DBJ BAI26723 "lipoprotein NlpB [Escherichia coli O26:H11 str. 11368]" 99.07 344 100.00 100.00 0.00e+00 DBJ BAI31755 "lipoprotein NlpB [Escherichia coli O103:H2 str. 12009]" 99.07 344 100.00 100.00 0.00e+00 EMBL CAA40661 "lipoprotein-34 [Escherichia coli K-12]" 99.07 344 100.00 100.00 0.00e+00 EMBL CAP76938 "Lipoprotein 34 [Escherichia coli LF82]" 99.07 344 99.37 99.69 0.00e+00 EMBL CAQ32848 "BamC, subunit of Outer Membrane Protein Assembly Complex [Escherichia coli BL21(DE3)]" 99.07 344 100.00 100.00 0.00e+00 EMBL CAQ99368 "lipoprotein [Escherichia coli IAI1]" 99.07 344 100.00 100.00 0.00e+00 EMBL CAR03928 "lipoprotein [Escherichia coli S88]" 99.07 344 99.37 99.69 0.00e+00 GB AAC75530 "BamABCDE complex OM biogenesis lipoprotein [Escherichia coli str. K-12 substr. MG1655]" 99.07 344 100.00 100.00 0.00e+00 GB AAG57587 "lipoprotein-34 [Escherichia coli O157:H7 str. EDL933]" 99.07 345 99.69 100.00 0.00e+00 GB AAN44023 "lipoprotein-34 [Shigella flexneri 2a str. 301]" 99.07 344 100.00 100.00 0.00e+00 GB AAN81455 "Lipoprotein-34 precursor [Escherichia coli CFT073]" 99.07 345 99.37 99.69 0.00e+00 GB AAP17837 "lipoprotein-34 [Shigella flexneri 2a str. 2457T]" 99.07 344 100.00 100.00 0.00e+00 REF NP_311366 "lipoprotein [Escherichia coli O157:H7 str. Sakai]" 99.07 344 100.00 100.00 0.00e+00 REF NP_416972 "BamABCDE complex OM biogenesis lipoprotein [Escherichia coli str. K-12 substr. MG1655]" 99.07 344 100.00 100.00 0.00e+00 REF NP_708316 "lipoprotein [Shigella flexneri 2a str. 301]" 99.07 344 100.00 100.00 0.00e+00 REF WP_000968412 "lipoprotein [Shigella dysenteriae]" 99.07 345 99.69 99.69 0.00e+00 REF WP_001295468 "lipoprotein [Escherichia coli]" 99.07 344 99.69 99.69 0.00e+00 SP P0A903 "RecName: Full=Outer membrane protein assembly factor BamC; Flags: Precursor" 99.07 344 100.00 100.00 0.00e+00 SP P0A904 "RecName: Full=Outer membrane protein assembly factor BamC; Flags: Precursor" 99.07 344 100.00 100.00 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 _Gene_mnemonic $BamC 'E. coli' 562 Eubacteria . Escherichia coli NlpB 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 $BamC 'chemical synthesis' . . . . . 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 $BamC 1 mM '[U-13C; U-15N; U-2H]' 'sodium phosphate' 50 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.110 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 'peak picking' 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY HSQC' _Sample_label $sample_1 save_ save_3D_TROSY_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY HNCA' _Sample_label $sample_1 save_ save_3D_TROSY_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY HN(CO)CA' _Sample_label $sample_1 save_ save_3D_TROSY_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY HNCACB' _Sample_label $sample_1 save_ save_3D_TROSY_HN(CO)CACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_TROSY_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY HNCO' _Sample_label $sample_1 save_ save_3D_TROSY_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY HN(CA)CO' _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 temperature 303 . K pH 6 . pH pressure 1 . atm 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 H 1 'methyl protons' ppm 0.00 external direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 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_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N TROSY HSQC' '3D TROSY HNCA' 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 BamC _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 26 4 SER C C 175.104 0.013 1 2 26 4 SER CA C 58.084 0.25 1 3 26 4 SER CB C 63.455 0.25 1 4 27 5 SER H H 8.523 0.001 1 5 27 5 SER C C 174.452 0.008 1 6 27 5 SER CA C 58.444 0.062 1 7 27 5 SER CB C 63.528 0.057 1 8 27 5 SER N N 117.679 0.031 1 9 28 6 ASP H H 8.321 0.001 1 10 28 6 ASP C C 176.777 0.002 1 11 28 6 ASP CA C 54.223 0.026 1 12 28 6 ASP CB C 40.978 0.062 1 13 28 6 ASP N N 122.102 0.041 1 14 29 7 SER H H 8.345 0.006 1 15 29 7 SER C C 175.175 0.005 1 16 29 7 SER CA C 58.852 0.040 1 17 29 7 SER CB C 63.186 0.030 1 18 29 7 SER N N 117.072 0.018 1 19 30 8 ARG H H 8.32 0.001 1 20 30 8 ARG C C 176.511 0.007 1 21 30 8 ARG CA C 56.746 0.033 1 22 30 8 ARG CB C 29.501 0.041 1 23 30 8 ARG N N 121.92 0.027 1 24 31 9 TYR H H 7.958 0.001 1 25 31 9 TYR C C 175.686 0.007 1 26 31 9 TYR CA C 57.544 0.045 1 27 31 9 TYR CB C 38.035 0.052 1 28 31 9 TYR N N 119.116 0.008 1 29 32 10 LYS H H 7.993 0.006 1 30 32 10 LYS C C 176.147 0.006 1 31 32 10 LYS CA C 55.879 0.045 1 32 32 10 LYS CB C 32.284 0.064 1 33 32 10 LYS N N 122.407 0.012 1 34 33 11 ARG H H 8.236 0.001 1 35 33 11 ARG C C 176.211 0.016 1 36 33 11 ARG CA C 55.847 0.055 1 37 33 11 ARG CB C 30.029 0.037 1 38 33 11 ARG N N 121.979 0.015 1 39 34 12 GLN H H 8.46 0.001 1 40 34 12 GLN C C 175.976 0.008 1 41 34 12 GLN CA C 55.568 0.034 1 42 34 12 GLN CB C 28.814 0.047 1 43 34 12 GLN N N 121.969 0.004 1 44 35 13 VAL H H 8.235 0.001 1 45 35 13 VAL C C 176.163 0.009 1 46 35 13 VAL CA C 61.741 0.017 1 47 35 13 VAL CB C 32.252 0.042 1 48 35 13 VAL N N 120.8 0.017 1 49 36 14 SER H H 8.457 0.006 1 50 36 14 SER C C 175.066 0.011 1 51 36 14 SER CA C 58.128 0.047 1 52 36 14 SER CB C 63.714 0.057 1 53 36 14 SER N N 118.684 0.011 1 54 37 15 GLY H H 8.51 0.001 1 55 37 15 GLY C C 174.167 0.012 1 56 37 15 GLY CA C 45.214 0.088 1 57 37 15 GLY N N 110.945 0.019 1 58 38 16 ASP H H 8.29 0.001 1 59 38 16 ASP C C 176.667 0.010 1 60 38 16 ASP CA C 54.329 0.092 1 61 38 16 ASP CB C 40.784 0.080 1 62 38 16 ASP N N 120.363 0.010 1 63 39 17 GLU H H 8.452 0.006 1 64 39 17 GLU C C 176.506 0.006 1 65 39 17 GLU CA C 56.776 0.033 1 66 39 17 GLU CB C 29.235 0.061 1 67 39 17 GLU N N 120.701 0.009 1 68 40 18 ALA H H 8.197 0.006 1 69 40 18 ALA C C 177.672 0.006 1 70 40 18 ALA CA C 52.515 0.033 1 71 40 18 ALA CB C 18.409 0.060 1 72 40 18 ALA N N 123.613 0.010 1 73 41 19 TYR H H 7.986 0.006 1 74 41 19 TYR C C 175.67 0.007 1 75 41 19 TYR CA C 57.629 0.016 1 76 41 19 TYR CB C 37.947 0.055 1 77 41 19 TYR N N 118.511 0.009 1 78 42 20 LEU H H 7.917 0.006 1 79 42 20 LEU C C 177.011 0.007 1 80 42 20 LEU CA C 54.755 0.024 1 81 42 20 LEU CB C 41.679 0.041 1 82 42 20 LEU N N 123.499 0.011 1 83 43 21 GLU H H 8.172 0.002 1 84 43 21 GLU C C 175.969 0.006 1 85 43 21 GLU CA C 56.031 0.048 1 86 43 21 GLU CB C 29.569 0.049 1 87 43 21 GLU N N 121.219 0.009 1 88 44 22 ALA H H 8.152 0.001 1 89 44 22 ALA C C 177.023 0.007 1 90 44 22 ALA CA C 51.811 0.042 1 91 44 22 ALA CB C 18.676 0.011 1 92 44 22 ALA N N 124.574 0.009 1 93 45 23 ALA H H 8.203 0.001 1 94 45 23 ALA C C 175.589 0.25 1 95 45 23 ALA CA C 50.355 0.046 1 96 45 23 ALA CB C 17.463 0.25 1 97 45 23 ALA N N 124.417 0.009 1 98 46 24 PRO C C 177.132 0.002 1 99 46 24 PRO CA C 62.678 0.057 1 100 46 24 PRO CB C 31.127 0.002 1 101 47 25 LEU H H 8.254 0.001 1 102 47 25 LEU C C 177.462 0.007 1 103 47 25 LEU CA C 55.03 0.054 1 104 47 25 LEU CB C 41.312 0.057 1 105 47 25 LEU N N 121.765 0.004 1 106 48 26 ALA H H 8.23 0.001 1 107 48 26 ALA C C 177.74 0.005 1 108 48 26 ALA CA C 52.354 0.035 1 109 48 26 ALA CB C 18.6 0.022 1 110 48 26 ALA N N 124.121 0.015 1 111 49 27 GLU H H 8.269 0.006 1 112 49 27 GLU C C 176.305 0.008 1 113 49 27 GLU CA C 56.029 0.048 1 114 49 27 GLU CB C 29.567 0.043 1 115 49 27 GLU N N 119.237 0.012 1 116 50 28 LEU H H 8.129 0.006 1 117 50 28 LEU C C 177.068 0.007 1 118 50 28 LEU CA C 54.978 0.073 1 119 50 28 LEU CB C 41.469 0.048 1 120 50 28 LEU N N 122.669 0.007 1 121 51 29 HIS H H 8.402 0.001 1 122 51 29 HIS C C 173.918 0.005 1 123 51 29 HIS CA C 54.568 0.061 1 124 51 29 HIS CB C 29.064 0.064 1 125 51 29 HIS N N 118.922 0.014 1 126 52 30 ALA H H 8.313 0.006 1 127 52 30 ALA C C 175.451 0.25 1 128 52 30 ALA CA C 50.317 0.047 1 129 52 30 ALA CB C 17.631 0.25 1 130 52 30 ALA N N 126.149 0.010 1 131 53 31 PRO C C 176.822 0.003 1 132 53 31 PRO CA C 62.753 0.012 1 133 53 31 PRO CB C 31.27 0.020 1 134 54 32 ALA H H 8.424 0.002 1 135 54 32 ALA C C 178.426 0.006 1 136 54 32 ALA CA C 52.4 0.040 1 137 54 32 ALA CB C 18.518 0.042 1 138 54 32 ALA N N 123.883 0.014 1 139 55 33 GLY H H 8.37 0.001 1 140 55 33 GLY C C 173.962 0.009 1 141 55 33 GLY CA C 44.907 0.046 1 142 55 33 GLY N N 107.727 0.018 1 143 56 34 MET H H 8.074 0.001 1 144 56 34 MET C C 175.723 0.007 1 145 56 34 MET CA C 55.22 0.064 1 146 56 34 MET CB C 32.527 0.040 1 147 56 34 MET N N 119.656 0.009 1 148 57 35 ILE H H 8.22 0.002 1 149 57 35 ILE C C 175.845 0.023 1 150 57 35 ILE CA C 60.482 0.064 1 151 57 35 ILE CB C 37.742 0.086 1 152 57 35 ILE N N 122.82 0.041 1 153 58 36 LEU H H 8.319 0.001 1 154 58 36 LEU C C 175.13 0.25 1 155 58 36 LEU CA C 52.493 0.024 1 156 58 36 LEU CB C 41.002 0.25 1 157 58 36 LEU N N 127.865 0.010 1 158 59 37 PRO C C 176.942 0.25 1 159 59 37 PRO CA C 62.512 0.024 1 160 59 37 PRO CB C 31.226 0.25 1 161 60 38 VAL H H 8.224 0.001 1 162 60 38 VAL C C 176.671 0.009 1 163 60 38 VAL CA C 61.954 0.032 1 164 60 38 VAL CB C 32.052 0.062 1 165 60 38 VAL N N 119.882 0.008 1 166 61 39 THR H H 8.233 0.001 1 167 61 39 THR C C 174.562 0.005 1 168 61 39 THR CA C 61.104 0.018 1 169 61 39 THR CB C 69.486 0.013 1 170 61 39 THR N N 116.836 0.005 1 171 62 40 SER H H 8.315 0.006 1 172 62 40 SER C C 174.987 0.008 1 173 62 40 SER CA C 58.169 0.035 1 174 62 40 SER CB C 63.568 0.077 1 175 62 40 SER N N 117.525 0.011 1 176 63 41 GLY H H 8.399 0.006 1 177 63 41 GLY C C 173.809 0.006 1 178 63 41 GLY CA C 45.023 0.050 1 179 63 41 GLY N N 110.528 0.022 1 180 64 42 ASP H H 8.177 0.001 1 181 64 42 ASP C C 175.891 0.008 1 182 64 42 ASP CA C 54.113 0.022 1 183 64 42 ASP CB C 40.632 0.052 1 184 64 42 ASP N N 120.177 0.011 1 185 65 43 TYR H H 8.015 0.001 1 186 65 43 TYR C C 175.223 0.006 1 187 65 43 TYR CA C 57.292 0.048 1 188 65 43 TYR CB C 38.253 0.070 1 189 65 43 TYR N N 119.866 0.009 1 190 66 44 ALA H H 8.06 0.006 1 191 66 44 ALA C C 176.927 0.007 1 192 66 44 ALA CA C 51.67 0.042 1 193 66 44 ALA CB C 18.671 0.032 1 194 66 44 ALA N N 125.34 0.010 1 195 67 45 ILE H H 8.006 0.001 1 196 67 45 ILE C C 174.792 0.25 1 197 67 45 ILE CA C 58.353 0.009 1 198 67 45 ILE CB C 37.85 0.25 1 199 67 45 ILE N N 121.673 0.008 1 200 68 46 PRO C C 176.913 0.004 1 201 68 46 PRO CA C 62.791 0.026 1 202 68 46 PRO CB C 31.317 0.25 1 203 69 47 VAL H H 8.26 0.001 1 204 69 47 VAL C C 176.676 0.003 1 205 69 47 VAL CA C 61.933 0.074 1 206 69 47 VAL CB C 32.024 0.028 1 207 69 47 VAL N N 120.377 0.012 1 208 70 48 THR H H 8.231 0.001 1 209 70 48 THR C C 174.376 0.004 1 210 70 48 THR CA C 61.144 0.019 1 211 70 48 THR CB C 69.483 0.026 1 212 70 48 THR N N 117.092 0.012 1 213 71 49 ASN H H 8.487 0.001 1 214 71 49 ASN C C 175.771 0.006 1 215 71 49 ASN CA C 53.045 0.046 1 216 71 49 ASN CB C 38.537 0.033 1 217 71 49 ASN N N 120.979 0.016 1 218 72 50 GLY H H 8.452 0.001 1 219 72 50 GLY C C 174.499 0.006 1 220 72 50 GLY CA C 45.13 0.063 1 221 72 50 GLY N N 109.355 0.015 1 222 73 51 SER H H 8.305 0.001 1 223 73 51 SER C C 175.06 0.002 1 224 73 51 SER CA C 58.331 0.031 1 225 73 51 SER CB C 63.487 0.093 1 226 73 51 SER N N 115.548 0.030 1 227 74 52 GLY H H 8.449 0.002 1 228 74 52 GLY C C 173.867 0.018 1 229 74 52 GLY CA C 44.977 0.058 1 230 74 52 GLY N N 110.205 0.078 1 231 75 53 ALA H H 8.126 0.001 1 232 75 53 ALA C C 177.835 0.008 1 233 75 53 ALA CA C 52.091 0.029 1 234 75 53 ALA CB C 18.63 0.029 1 235 75 53 ALA N N 123.641 0.013 1 236 76 54 VAL H H 8.104 0.006 1 237 76 54 VAL C C 176.89 0.011 1 238 76 54 VAL CA C 62.13 0.072 1 239 76 54 VAL CB C 32.052 0.072 1 240 76 54 VAL N N 118.941 0.009 1 241 77 55 GLY H H 8.442 0.001 1 242 77 55 GLY C C 174.028 0.001 1 243 77 55 GLY CA C 44.943 0.047 1 244 77 55 GLY N N 111.985 0.014 1 245 78 56 LYS H H 8.126 0.001 1 246 78 56 LYS C C 176.333 0.009 1 247 78 56 LYS CA C 55.697 0.035 1 248 78 56 LYS CB C 32.421 0.048 1 249 78 56 LYS N N 120.944 0.009 1 250 79 57 ALA H H 8.322 0.001 1 251 79 57 ALA C C 177.616 0.006 1 252 79 57 ALA CA C 52.18 0.036 1 253 79 57 ALA CB C 18.46 0.046 1 254 79 57 ALA N N 125.05 0.010 1 255 80 58 LEU H H 8.188 0.001 1 256 80 58 LEU C C 177.033 0.007 1 257 80 58 LEU CA C 54.778 0.025 1 258 80 58 LEU CB C 41.63 0.028 1 259 80 58 LEU N N 120.932 0.005 1 260 81 59 ASP H H 8.301 0.001 1 261 81 59 ASP C C 175.842 0.008 1 262 81 59 ASP CA C 53.845 0.039 1 263 81 59 ASP CB C 40.591 0.067 1 264 81 59 ASP N N 121.148 0.022 1 265 82 60 ILE H H 7.974 0.001 1 266 82 60 ILE C C 176.061 0.012 1 267 82 60 ILE CA C 60.512 0.026 1 268 82 60 ILE CB C 37.869 0.036 1 269 82 60 ILE N N 120.628 0.010 1 270 83 61 ARG H H 8.355 0.001 1 271 83 61 ARG C C 173.745 0.25 1 272 83 61 ARG CA C 53.383 0.017 1 273 83 61 ARG CB C 29.45 0.25 1 274 83 61 ARG N N 126.098 0.019 1 275 85 63 PRO C C 176.7 0.002 1 276 85 63 PRO CA C 62.494 0.027 1 277 85 63 PRO CB C 31.247 0.020 1 278 86 64 ALA H H 8.345 0.001 1 279 86 64 ALA C C 177.566 0.007 1 280 86 64 ALA CA C 52.001 0.035 1 281 86 64 ALA CB C 18.592 0.033 1 282 86 64 ALA N N 123.746 0.010 1 283 87 65 GLN H H 8.279 0.001 1 284 87 65 GLN C C 174.077 0.25 1 285 87 65 GLN CA C 53.127 0.059 1 286 87 65 GLN CB C 28.464 0.25 1 287 87 65 GLN N N 120.105 0.009 1 288 88 66 PRO C C 176.899 0.018 1 289 88 66 PRO CA C 62.775 0.035 1 290 88 66 PRO CB C 31.233 0.032 1 291 89 67 LEU H H 8.316 0.001 1 292 89 67 LEU C C 177.193 0.007 1 293 89 67 LEU CA C 54.938 0.057 1 294 89 67 LEU CB C 41.436 0.084 1 295 89 67 LEU N N 122.073 0.013 1 296 90 68 ALA H H 8.254 0.006 1 297 90 68 ALA C C 177.434 0.008 1 298 90 68 ALA CA C 51.975 0.029 1 299 90 68 ALA CB C 18.539 0.030 1 300 90 68 ALA N N 124.319 0.009 1 301 91 69 LEU H H 8.166 0.001 1 302 91 69 LEU C C 177.587 0.015 1 303 91 69 LEU CA C 54.828 0.013 1 304 91 69 LEU CB C 41.474 0.085 1 305 91 69 LEU N N 121.148 0.007 1 306 92 70 VAL H H 8.213 0.003 1 307 92 70 VAL C C 176.411 0.007 1 308 92 70 VAL CA C 61.945 0.015 1 309 92 70 VAL CB C 32.049 0.075 1 310 92 70 VAL N N 120.53 0.019 1 311 93 71 SER H H 8.423 0.001 1 312 93 71 SER C C 175.221 0.005 1 313 93 71 SER CA C 58.334 0.018 1 314 93 71 SER CB C 63.506 0.055 1 315 93 71 SER N N 118.805 0.009 1 316 94 72 GLY H H 8.418 0.001 1 317 94 72 GLY C C 173.938 0.010 1 318 94 72 GLY CA C 44.98 0.044 1 319 94 72 GLY N N 110.885 0.016 1 320 95 73 ALA H H 8.102 0.001 1 321 95 73 ALA C C 177.728 0.002 1 322 95 73 ALA CA C 52.199 0.034 1 323 95 73 ALA CB C 18.812 0.018 1 324 95 73 ALA N N 123.412 0.017 1 325 96 74 ARG H H 8.406 0.006 1 326 96 74 ARG C C 176.252 0.008 1 327 96 74 ARG CA C 55.695 0.039 1 328 96 74 ARG CB C 30.218 0.043 1 329 96 74 ARG N N 119.655 0.009 1 330 97 75 THR H H 8.082 0.006 1 331 97 75 THR C C 174.237 0.007 1 332 97 75 THR CA C 61.085 0.022 1 333 97 75 THR CB C 69.685 0.037 1 334 97 75 THR N N 114.908 0.011 1 335 98 76 GLN H H 8.55 0.006 1 336 98 76 GLN C C 174.86 0.008 1 337 98 76 GLN CA C 54.868 0.030 1 338 98 76 GLN CB C 30.105 0.024 1 339 98 76 GLN N N 122.372 0.009 1 340 99 77 PHE H H 8.644 0.001 1 341 99 77 PHE C C 175.459 0.006 1 342 99 77 PHE CA C 57.285 0.053 1 343 99 77 PHE CB C 40.197 0.045 1 344 99 77 PHE N N 122.816 0.010 1 345 100 78 THR H H 8.203 0.006 1 346 100 78 THR C C 174.805 0.009 1 347 100 78 THR CA C 61.002 0.043 1 348 100 78 THR CB C 69.689 0.010 1 349 100 78 THR N N 117.934 0.016 1 350 101 79 GLY H H 8.124 0.002 1 351 101 79 GLY C C 172.782 0.006 1 352 101 79 GLY CA C 46.693 0.074 1 353 101 79 GLY N N 112.19 0.010 1 354 102 80 ASP H H 7.997 0.001 1 355 102 80 ASP C C 175.423 0.006 1 356 102 80 ASP CA C 53.325 0.041 1 357 102 80 ASP CB C 40.921 0.022 1 358 102 80 ASP N N 119.942 0.015 1 359 103 81 THR H H 7.74 0.001 1 360 103 81 THR C C 173.115 0.009 1 361 103 81 THR CA C 61.337 0.048 1 362 103 81 THR CB C 71.965 0.041 1 363 103 81 THR N N 113.999 0.014 1 364 104 82 ALA H H 9.284 0.002 1 365 104 82 ALA C C 175.4 0.001 1 366 104 82 ALA CA C 50.236 0.047 1 367 104 82 ALA CB C 21.013 0.096 1 368 104 82 ALA N N 129.507 0.021 1 369 105 83 SER H H 8.747 0.001 1 370 105 83 SER C C 172.416 0.007 1 371 105 83 SER CA C 56.991 0.038 1 372 105 83 SER CB C 65.722 0.018 1 373 105 83 SER N N 114.942 0.013 1 374 106 84 LEU H H 8.949 0.001 1 375 106 84 LEU C C 174.79 0.003 1 376 106 84 LEU CA C 53.538 0.047 1 377 106 84 LEU CB C 45.755 0.039 1 378 106 84 LEU N N 126.541 0.013 1 379 107 85 LEU H H 8.573 0.001 1 380 107 85 LEU C C 176.543 0.013 1 381 107 85 LEU CA C 53.879 0.055 1 382 107 85 LEU CB C 41.786 0.060 1 383 107 85 LEU N N 127.15 0.009 1 384 108 86 VAL H H 9.034 0.001 1 385 108 86 VAL C C 175.626 0.010 1 386 108 86 VAL CA C 60.634 0.049 1 387 108 86 VAL CB C 33.619 0.062 1 388 108 86 VAL N N 122.889 0.012 1 389 109 87 GLU H H 8.784 0.001 1 390 109 87 GLU C C 176.359 0.007 1 391 109 87 GLU CA C 56.548 0.066 1 392 109 87 GLU CB C 29.625 0.045 1 393 109 87 GLU N N 125.234 0.010 1 394 110 88 ASN H H 8.629 0.001 1 395 110 88 ASN C C 176.021 0.006 1 396 110 88 ASN CA C 53.443 0.026 1 397 110 88 ASN CB C 38.638 0.020 1 398 110 88 ASN N N 119.329 0.010 1 399 111 89 GLY H H 8.548 0.001 1 400 111 89 GLY C C 174.511 0.009 1 401 111 89 GLY CA C 45.394 0.063 1 402 111 89 GLY N N 109.162 0.015 1 403 112 90 ARG H H 8.375 0.001 1 404 112 90 ARG C C 177.438 0.007 1 405 112 90 ARG CA C 55.719 0.056 1 406 112 90 ARG CB C 29.539 0.039 1 407 112 90 ARG N N 120.041 0.010 1 408 113 91 GLY H H 8.553 0.001 1 409 113 91 GLY C C 174.622 0.007 1 410 113 91 GLY CA C 45.873 0.060 1 411 113 91 GLY N N 109.676 0.026 1 412 114 92 ASN H H 8.49 0.001 1 413 114 92 ASN C C 176.004 0.006 1 414 114 92 ASN CA C 53.602 0.035 1 415 114 92 ASN CB C 37.84 0.044 1 416 114 92 ASN N N 118.622 0.009 1 417 115 93 THR H H 8.025 0.006 1 418 115 93 THR C C 175.401 0.010 1 419 115 93 THR CA C 61.144 0.023 1 420 115 93 THR CB C 69.074 0.063 1 421 115 93 THR N N 110.628 0.017 1 422 116 94 LEU H H 8.146 0.001 1 423 116 94 LEU C C 177.959 0.008 1 424 116 94 LEU CA C 57.214 0.052 1 425 116 94 LEU CB C 41.603 0.037 1 426 116 94 LEU N N 125.062 0.047 1 427 117 95 TRP H H 9.008 0.001 1 428 117 95 TRP C C 173.498 0.25 1 429 117 95 TRP CA C 61.313 0.054 1 430 117 95 TRP CB C 27.224 0.25 1 431 117 95 TRP N N 117.839 0.011 1 432 118 96 PRO C C 179.832 0.001 1 433 118 96 PRO CA C 65.261 0.008 1 434 118 96 PRO CB C 29.55 0.018 1 435 119 97 GLN H H 7.462 0.006 1 436 119 97 GLN C C 178.601 0.015 1 437 119 97 GLN CA C 58.77 0.037 1 438 119 97 GLN CB C 28.209 0.021 1 439 119 97 GLN N N 116.844 0.022 1 440 120 98 VAL H H 8.231 0.002 1 441 120 98 VAL C C 177.219 0.006 1 442 120 98 VAL CA C 66.92 0.054 1 443 120 98 VAL CB C 30.287 0.055 1 444 120 98 VAL N N 121.726 0.011 1 445 121 99 VAL H H 7.541 0.001 1 446 121 99 VAL C C 178.138 0.006 1 447 121 99 VAL CA C 66.869 0.049 1 448 121 99 VAL CB C 30.357 0.054 1 449 121 99 VAL N N 117.348 0.012 1 450 122 100 SER H H 7.859 0.001 1 451 122 100 SER C C 177.401 0.007 1 452 122 100 SER CA C 61.513 0.093 1 453 122 100 SER CB C 62.514 0.077 1 454 122 100 SER N N 113.215 0.012 1 455 123 101 VAL H H 7.978 0.001 1 456 123 101 VAL C C 177.842 0.009 1 457 123 101 VAL CA C 65.603 0.069 1 458 123 101 VAL CB C 30.708 0.086 1 459 123 101 VAL N N 123.11 0.011 1 460 124 102 LEU H H 7.399 0.001 1 461 124 102 LEU C C 179.451 0.005 1 462 124 102 LEU CA C 57.462 0.026 1 463 124 102 LEU CB C 40.048 0.051 1 464 124 102 LEU N N 118.075 0.015 1 465 125 103 GLN H H 8.329 0.002 1 466 125 103 GLN C C 180.649 0.008 1 467 125 103 GLN CA C 58.402 0.022 1 468 125 103 GLN CB C 27.622 0.054 1 469 125 103 GLN N N 116.85 0.027 1 470 126 104 ALA H H 8.279 0.001 1 471 126 104 ALA C C 179.468 0.014 1 472 126 104 ALA CA C 54.124 0.032 1 473 126 104 ALA CB C 17.294 0.047 1 474 126 104 ALA N N 123.237 0.016 1 475 127 105 LYS H H 7.026 0.002 1 476 127 105 LYS C C 175.505 0.007 1 477 127 105 LYS CA C 53.727 0.087 1 478 127 105 LYS CB C 29.459 0.055 1 479 127 105 LYS N N 115.307 0.017 1 480 128 106 ASN H H 7.932 0.001 1 481 128 106 ASN C C 175.047 0.011 1 482 128 106 ASN CA C 53.9 0.027 1 483 128 106 ASN CB C 36.486 0.045 1 484 128 106 ASN N N 113.264 0.021 1 485 129 107 TYR H H 7.388 0.001 1 486 129 107 TYR C C 175.796 0.009 1 487 129 107 TYR CA C 54.227 0.039 1 488 129 107 TYR CB C 35.87 0.084 1 489 129 107 TYR N N 117.474 0.011 1 490 130 108 THR H H 8.683 0.006 1 491 130 108 THR C C 173.579 0.009 1 492 130 108 THR CA C 62.837 0.108 1 493 130 108 THR CB C 68.816 0.008 1 494 130 108 THR N N 120.06 0.011 1 495 131 109 ILE H H 8.877 0.002 1 496 131 109 ILE C C 176.535 0.008 1 497 131 109 ILE CA C 60.364 0.025 1 498 131 109 ILE CB C 38.315 0.019 1 499 131 109 ILE N N 129.36 0.012 1 500 132 110 THR H H 8.807 0.001 1 501 132 110 THR C C 174.904 0.008 1 502 132 110 THR CA C 62.514 0.022 1 503 132 110 THR CB C 68.2 0.026 1 504 132 110 THR N N 119.673 0.010 1 505 133 111 GLN H H 7.583 0.001 1 506 133 111 GLN C C 173.423 0.005 1 507 133 111 GLN CA C 55.413 0.025 1 508 133 111 GLN CB C 30.449 0.038 1 509 133 111 GLN N N 121.372 0.012 1 510 134 112 ARG H H 8.816 0.001 1 511 134 112 ARG C C 173.141 0.007 1 512 134 112 ARG CA C 56.125 0.025 1 513 134 112 ARG CB C 33.243 0.025 1 514 134 112 ARG N N 124.657 0.011 1 515 135 113 ASP H H 9.087 0.001 1 516 135 113 ASP C C 176.209 0.003 1 517 135 113 ASP CA C 51.679 0.067 1 518 135 113 ASP CB C 40.896 0.045 1 519 135 113 ASP N N 127.196 0.012 1 520 136 114 ASP H H 8.99 0.006 1 521 136 114 ASP C C 177.944 0.011 1 522 136 114 ASP CA C 57.041 0.027 1 523 136 114 ASP CB C 40.2 0.001 1 524 136 114 ASP N N 123.939 0.007 1 525 137 115 ALA H H 8.22 0.001 1 526 137 115 ALA C C 179.828 0.009 1 527 137 115 ALA CA C 54.325 0.080 1 528 137 115 ALA CB C 17.372 0.041 1 529 137 115 ALA N N 123.553 0.023 1 530 138 116 GLY H H 8.089 0.002 1 531 138 116 GLY C C 172.739 0.011 1 532 138 116 GLY CA C 44.653 0.042 1 533 138 116 GLY N N 104.943 0.021 1 534 139 117 GLN H H 7.265 0.001 1 535 139 117 GLN C C 172.395 0.006 1 536 139 117 GLN CA C 55.159 0.067 1 537 139 117 GLN CB C 25.764 0.014 1 538 139 117 GLN N N 118.124 0.011 1 539 140 118 THR H H 7.436 0.002 1 540 140 118 THR C C 171.81 0.004 1 541 140 118 THR CA C 60.115 0.059 1 542 140 118 THR CB C 70.892 0.045 1 543 140 118 THR N N 110.707 0.016 1 544 141 119 LEU H H 9.5 0.001 1 545 141 119 LEU C C 175.119 0.003 1 546 141 119 LEU CA C 54.072 0.031 1 547 141 119 LEU CB C 44.034 0.032 1 548 141 119 LEU N N 124.308 0.015 1 549 142 120 THR H H 9.072 0.001 1 550 142 120 THR C C 174.583 0.007 1 551 142 120 THR CA C 60.595 0.042 1 552 142 120 THR CB C 71.149 0.067 1 553 142 120 THR N N 116.283 0.013 1 554 143 121 THR H H 9.379 0.001 1 555 143 121 THR C C 175.435 0.010 1 556 143 121 THR CA C 60.612 0.051 1 557 143 121 THR CB C 71.226 0.058 1 558 143 121 THR N N 115.759 0.012 1 559 144 122 ASP H H 8.169 0.001 1 560 144 122 ASP C C 176.41 0.009 1 561 144 122 ASP CA C 52.221 0.044 1 562 144 122 ASP CB C 41.545 0.058 1 563 144 122 ASP N N 117.799 0.014 1 564 145 123 TRP H H 8.948 0.001 1 565 145 123 TRP C C 176.669 0.004 1 566 145 123 TRP CA C 58.261 0.026 1 567 145 123 TRP CB C 30.471 0.042 1 568 145 123 TRP N N 120.191 0.013 1 569 146 124 VAL H H 9.799 0.001 1 570 146 124 VAL C C 174.895 0.009 1 571 146 124 VAL CA C 61.477 0.036 1 572 146 124 VAL CB C 33.702 0.047 1 573 146 124 VAL N N 126.994 0.009 1 574 147 125 GLN H H 8.409 0.001 1 575 147 125 GLN C C 175.146 0.007 1 576 147 125 GLN CA C 54.504 0.040 1 577 147 125 GLN CB C 29.505 0.060 1 578 147 125 GLN N N 124.926 0.008 1 579 148 126 TRP H H 8.592 0.001 1 580 148 126 TRP C C 175.671 0.007 1 581 148 126 TRP CA C 55.703 0.047 1 582 148 126 TRP CB C 31.079 0.083 1 583 148 126 TRP N N 127.42 0.013 1 584 149 127 ASN H H 8.753 0.001 1 585 149 127 ASN C C 174.943 0.005 1 586 149 127 ASN CA C 53.421 0.050 1 587 149 127 ASN CB C 39.801 0.047 1 588 149 127 ASN N N 118.828 0.016 1 589 150 128 ARG H H 9.145 0.001 1 590 150 128 ARG C C 177.228 0.025 1 591 150 128 ARG CA C 55.443 0.032 1 592 150 128 ARG CB C 32.19 0.074 1 593 150 128 ARG N N 123.235 0.007 1 594 151 129 LEU H H 8.685 0.001 1 595 151 129 LEU C C 177.414 0.022 1 596 151 129 LEU CA C 56.022 0.061 1 597 151 129 LEU CB C 41.056 0.069 1 598 151 129 LEU N N 122.426 0.036 1 599 152 130 ASP H H 8.431 0.001 1 600 152 130 ASP C C 175.93 0.008 1 601 152 130 ASP CA C 53.704 0.060 1 602 152 130 ASP CB C 39.375 0.078 1 603 152 130 ASP N N 116.087 0.018 1 604 153 131 GLU H H 7.642 0.001 1 605 153 131 GLU C C 176.082 0.012 1 606 153 131 GLU CA C 55.273 0.060 1 607 153 131 GLU CB C 30.21 0.052 1 608 153 131 GLU N N 118.16 0.009 1 609 154 132 ASP H H 8.637 0.001 1 610 154 132 ASP C C 176.596 0.008 1 611 154 132 ASP CA C 55.306 0.044 1 612 154 132 ASP CB C 41.011 0.117 1 613 154 132 ASP N N 120.922 0.007 1 614 155 133 GLU H H 8.042 0.001 1 615 155 133 GLU C C 175.63 0.004 1 616 155 133 GLU CA C 55.331 0.044 1 617 155 133 GLU CB C 30.597 0.047 1 618 155 133 GLU N N 118.651 0.019 1 619 156 134 GLN H H 8.525 0.001 1 620 156 134 GLN C C 176.089 0.003 1 621 156 134 GLN CA C 54.951 0.060 1 622 156 134 GLN CB C 28.351 0.067 1 623 156 134 GLN N N 119.452 0.016 1 624 157 135 TYR H H 9.184 0.002 1 625 157 135 TYR C C 175.819 0.006 1 626 157 135 TYR CA C 56.968 0.033 1 627 157 135 TYR CB C 40.614 0.048 1 628 157 135 TYR N N 122.164 0.009 1 629 158 136 ARG H H 9.008 0.001 1 630 158 136 ARG C C 175.03 0.004 1 631 158 136 ARG CA C 53.787 0.049 1 632 158 136 ARG CB C 33.606 0.049 1 633 158 136 ARG N N 115.63 0.018 1 634 159 137 GLY H H 9.119 0.002 1 635 159 137 GLY C C 171.435 0.004 1 636 159 137 GLY CA C 44.39 0.083 1 637 159 137 GLY N N 106.548 0.015 1 638 160 138 ARG H H 7.957 0.002 1 639 160 138 ARG C C 175.103 0.005 1 640 160 138 ARG CA C 55.226 0.016 1 641 160 138 ARG CB C 32.413 0.022 1 642 160 138 ARG N N 119.099 0.022 1 643 161 139 TYR H H 7.949 0.002 1 644 161 139 TYR C C 173.979 0.006 1 645 161 139 TYR CA C 57.606 0.029 1 646 161 139 TYR CB C 42.14 0.023 1 647 161 139 TYR N N 118.355 0.018 1 648 162 140 GLN H H 9.664 0.001 1 649 162 140 GLN C C 175.778 0.008 1 650 162 140 GLN CA C 54.242 0.060 1 651 162 140 GLN CB C 31.308 0.027 1 652 162 140 GLN N N 121.81 0.010 1 653 163 141 ILE H H 9.462 0.001 1 654 163 141 ILE C C 174.383 0.005 1 655 163 141 ILE CA C 59.546 0.053 1 656 163 141 ILE CB C 39.768 0.027 1 657 163 141 ILE N N 131.267 0.015 1 658 164 142 SER H H 9.072 0.001 1 659 164 142 SER C C 173.171 0.007 1 660 164 142 SER CA C 56.225 0.034 1 661 164 142 SER CB C 66.376 0.091 1 662 164 142 SER N N 119.513 0.012 1 663 165 143 VAL H H 8.22 0.002 1 664 165 143 VAL C C 175.467 0.005 1 665 165 143 VAL CA C 60.943 0.068 1 666 165 143 VAL CB C 34.184 0.047 1 667 165 143 VAL N N 120.691 0.019 1 668 166 144 LYS H H 9.073 0.001 1 669 166 144 LYS C C 173.152 0.25 1 670 166 144 LYS CA C 52.575 0.001 1 671 166 144 LYS CB C 34.353 0.25 1 672 166 144 LYS N N 127.339 0.042 1 673 167 145 PRO C C 176.818 0.002 1 674 167 145 PRO CA C 62.723 0.058 1 675 167 145 PRO CB C 31.251 0.008 1 676 168 146 GLN H H 8.426 0.002 1 677 168 146 GLN C C 175.416 0.002 1 678 168 146 GLN CA C 54.693 0.033 1 679 168 146 GLN CB C 29.251 0.051 1 680 168 146 GLN N N 123.934 0.047 1 681 169 147 GLY H H 8.828 0.006 1 682 169 147 GLY C C 175.065 0.028 1 683 169 147 GLY CA C 46.547 0.070 1 684 169 147 GLY N N 115.807 0.011 1 685 170 148 TYR H H 8.72 0.001 1 686 170 148 TYR C C 175.249 0.005 1 687 170 148 TYR CA C 57.912 0.065 1 688 170 148 TYR CB C 37.052 0.078 1 689 170 148 TYR N N 125.885 0.011 1 690 171 149 GLN H H 7.829 0.006 1 691 171 149 GLN C C 174.895 0.006 1 692 171 149 GLN CA C 54.391 0.034 1 693 171 149 GLN CB C 31.088 0.022 1 694 171 149 GLN N N 118.696 0.015 1 695 172 150 GLN H H 8.644 0.001 1 696 172 150 GLN C C 173.448 0.007 1 697 172 150 GLN CA C 54.559 0.039 1 698 172 150 GLN CB C 31.47 0.039 1 699 172 150 GLN N N 118.414 0.022 1 700 173 151 ALA H H 9.145 0.001 1 701 173 151 ALA C C 177.173 0.024 1 702 173 151 ALA CA C 50.077 0.047 1 703 173 151 ALA CB C 20.171 0.024 1 704 173 151 ALA N N 123.23 0.011 1 705 174 152 VAL H H 9.313 0.001 1 706 174 152 VAL C C 175.706 0.012 1 707 174 152 VAL CA C 60.867 0.093 1 708 174 152 VAL CB C 31.865 0.037 1 709 174 152 VAL N N 124.657 0.015 1 710 175 153 THR H H 9.484 0.006 1 711 175 153 THR C C 173.474 0.007 1 712 175 153 THR CA C 60.799 0.064 1 713 175 153 THR CB C 70.238 0.032 1 714 175 153 THR N N 120.778 0.012 1 715 176 154 VAL H H 9.341 0.001 1 716 176 154 VAL C C 173.109 0.009 1 717 176 154 VAL CA C 61.013 0.055 1 718 176 154 VAL CB C 33.9 0.011 1 719 176 154 VAL N N 125.17 0.011 1 720 177 155 LYS H H 9.379 0.006 1 721 177 155 LYS C C 175.729 0.007 1 722 177 155 LYS CA C 53.901 0.051 1 723 177 155 LYS CB C 35.269 0.067 1 724 177 155 LYS N N 128.357 0.033 1 725 178 156 LEU H H 9.27 0.006 1 726 178 156 LEU C C 174.608 0.006 1 727 178 156 LEU CA C 54.036 0.018 1 728 178 156 LEU CB C 42.067 0.040 1 729 178 156 LEU N N 130.123 0.008 1 730 179 157 LEU H H 8.586 0.001 1 731 179 157 LEU C C 177.44 0.010 1 732 179 157 LEU CA C 55.739 0.065 1 733 179 157 LEU CB C 42.054 0.022 1 734 179 157 LEU N N 126.588 0.021 1 735 180 158 ASN H H 6.943 0.001 1 736 180 158 ASN C C 171.645 0.005 1 737 180 158 ASN CA C 53.484 0.034 1 738 180 158 ASN CB C 44.18 0.033 1 739 180 158 ASN N N 110.122 0.009 1 740 181 159 LEU H H 9.086 0.001 1 741 181 159 LEU C C 174.547 0.003 1 742 181 159 LEU CA C 53.906 0.035 1 743 181 159 LEU CB C 44.828 0.066 1 744 181 159 LEU N N 124.811 0.007 1 745 182 160 GLU H H 9.379 0.001 1 746 182 160 GLU C C 174.496 0.005 1 747 182 160 GLU CA C 53.985 0.031 1 748 182 160 GLU CB C 34.66 0.057 1 749 182 160 GLU N N 124.963 0.007 1 750 183 161 GLN H H 8.718 0.006 1 751 183 161 GLN C C 175.451 0.007 1 752 183 161 GLN CA C 54.425 0.034 1 753 183 161 GLN CB C 30.409 0.049 1 754 183 161 GLN N N 121.266 0.012 1 755 184 162 ALA H H 8.978 0.001 1 756 184 162 ALA C C 177.151 0.002 1 757 184 162 ALA CA C 52.692 0.033 1 758 184 162 ALA CB C 16.785 0.015 1 759 184 162 ALA N N 132.023 0.009 1 760 185 163 GLY H H 8.508 0.001 1 761 185 163 GLY C C 173.711 0.006 1 762 185 163 GLY CA C 44.835 0.052 1 763 185 163 GLY N N 103.043 0.021 1 764 186 164 LYS H H 7.773 0.001 1 765 186 164 LYS C C 173.692 0.25 1 766 186 164 LYS CA C 52.499 0.019 1 767 186 164 LYS CB C 32.584 0.25 1 768 186 164 LYS N N 121.306 0.014 1 769 187 165 PRO C C 177.024 0.25 1 770 187 165 PRO CA C 62.845 0.053 1 771 187 165 PRO CB C 31.62 0.25 1 772 188 166 VAL H H 8.491 0.001 1 773 188 166 VAL C C 175.127 0.006 1 774 188 166 VAL CA C 61.256 0.023 1 775 188 166 VAL CB C 34.215 0.085 1 776 188 166 VAL N N 122.145 0.013 1 777 189 167 ALA H H 8.791 0.006 1 778 189 167 ALA C C 176.669 0.007 1 779 189 167 ALA CA C 50.917 0.045 1 780 189 167 ALA CB C 19.706 0.053 1 781 189 167 ALA N N 125.862 0.008 1 782 190 168 ASP H H 7.772 0.001 1 783 190 168 ASP C C 176.036 0.006 1 784 190 168 ASP CA C 53.875 0.038 1 785 190 168 ASP CB C 41.646 0.032 1 786 190 168 ASP N N 118.498 0.017 1 787 191 169 ALA H H 8.863 0.001 1 788 191 169 ALA C C 180.065 0.005 1 789 191 169 ALA CA C 55.259 0.050 1 790 191 169 ALA CB C 18.091 0.093 1 791 191 169 ALA N N 126.307 0.010 1 792 192 170 ALA H H 8.504 0.001 1 793 192 170 ALA C C 181.601 0.006 1 794 192 170 ALA CA C 55.11 0.064 1 795 192 170 ALA CB C 17.206 0.056 1 796 192 170 ALA N N 120.15 0.011 1 797 193 171 SER H H 8.191 0.001 1 798 193 171 SER C C 176.013 0.014 1 799 193 171 SER CA C 61.979 0.007 1 800 193 171 SER N N 117.538 0.023 1 801 194 172 MET H H 8.201 0.001 1 802 194 172 MET C C 178.755 0.009 1 803 194 172 MET CA C 58.054 0.042 1 804 194 172 MET CB C 30.783 0.054 1 805 194 172 MET N N 120.294 0.017 1 806 195 173 GLN H H 8.283 0.001 1 807 195 173 GLN C C 178.901 0.016 1 808 195 173 GLN CA C 58.343 0.029 1 809 195 173 GLN CB C 27.351 0.044 1 810 195 173 GLN N N 119.83 0.013 1 811 196 174 ARG H H 8.012 0.002 1 812 196 174 ARG C C 178.829 0.003 1 813 196 174 ARG CA C 59.036 0.058 1 814 196 174 ARG CB C 28.706 0.038 1 815 196 174 ARG N N 120.958 0.011 1 816 197 175 TYR H H 8.132 0.002 1 817 197 175 TYR C C 179.753 0.014 1 818 197 175 TYR CA C 62.839 0.019 1 819 197 175 TYR CB C 37.005 0.022 1 820 197 175 TYR N N 113.175 0.009 1 821 198 176 SER H H 8.665 0.001 1 822 198 176 SER C C 175.973 0.25 1 823 198 176 SER CA C 62.763 0.026 1 824 198 176 SER CB C 61.573 0.031 1 825 198 176 SER N N 124.03 0.028 1 826 199 177 THR H H 7.908 0.002 1 827 199 177 THR C C 176.049 0.25 1 828 199 177 THR CA C 66.663 0.017 1 829 199 177 THR CB C 67.791 0.032 1 830 199 177 THR N N 120.01 0.010 1 831 200 178 GLU H H 7.951 0.001 1 832 200 178 GLU C C 178.601 0.005 1 833 200 178 GLU CA C 58.959 0.036 1 834 200 178 GLU CB C 27.852 0.097 1 835 200 178 GLU N N 119.915 0.019 1 836 201 179 MET H H 6.439 0.001 1 837 201 179 MET C C 177.495 0.022 1 838 201 179 MET CA C 56.296 0.034 1 839 201 179 MET CB C 32.123 0.047 1 840 201 179 MET N N 114.945 0.017 1 841 202 180 MET H H 7.924 0.001 1 842 202 180 MET C C 177.77 0.006 1 843 202 180 MET CA C 58.076 0.073 1 844 202 180 MET CB C 31.753 0.113 1 845 202 180 MET N N 120.389 0.020 1 846 203 181 ASN H H 8.824 0.001 1 847 203 181 ASN C C 178.6 0.007 1 848 203 181 ASN CA C 55.156 0.089 1 849 203 181 ASN CB C 36.803 0.040 1 850 203 181 ASN N N 117.697 0.022 1 851 204 182 VAL H H 7.564 0.002 1 852 204 182 VAL C C 179.06 0.010 1 853 204 182 VAL CA C 66.289 0.075 1 854 204 182 VAL CB C 31.264 0.013 1 855 204 182 VAL N N 121.903 0.018 1 856 205 183 ILE H H 7.746 0.001 1 857 205 183 ILE C C 177.557 0.009 1 858 205 183 ILE CA C 64.913 0.081 1 859 205 183 ILE CB C 37.015 0.032 1 860 205 183 ILE N N 119.781 0.014 1 861 206 184 SER H H 9.191 0.001 1 862 206 184 SER C C 177.119 0.005 1 863 206 184 SER CA C 61.341 0.112 1 864 206 184 SER CB C 62.437 0.046 1 865 206 184 SER N N 114.522 0.013 1 866 207 185 ALA H H 7.968 0.001 1 867 207 185 ALA C C 180.675 0.016 1 868 207 185 ALA CA C 54.382 0.031 1 869 207 185 ALA CB C 17.449 0.036 1 870 207 185 ALA N N 121.685 0.015 1 871 208 186 GLY H H 7.907 0.001 1 872 208 186 GLY C C 175.952 0.027 1 873 208 186 GLY CA C 46.293 0.102 1 874 208 186 GLY N N 105.184 0.020 1 875 209 187 LEU H H 8.247 0.003 1 876 209 187 LEU C C 178.612 0.006 1 877 209 187 LEU CA C 56.01 0.029 1 878 209 187 LEU CB C 41.332 0.25 1 879 209 187 LEU N N 121.963 0.010 1 880 210 188 ASP H H 8.025 0.003 1 881 210 188 ASP C C 177.539 0.007 1 882 210 188 ASP CA C 55.594 0.060 1 883 210 188 ASP CB C 40.506 0.098 1 884 210 188 ASP N N 119.968 0.029 1 885 211 189 LYS H H 8.016 0.001 1 886 211 189 LYS C C 177.598 0.013 1 887 211 189 LYS CA C 57.118 0.060 1 888 211 189 LYS CB C 31.655 0.038 1 889 211 189 LYS N N 120.948 0.007 1 890 212 190 SER H H 8.199 0.001 1 891 212 190 SER C C 175.698 0.009 1 892 212 190 SER CA C 59.592 0.037 1 893 212 190 SER CB C 63.05 0.095 1 894 212 190 SER N N 114.96 0.015 1 895 213 191 ALA H H 8.14 0.001 1 896 213 191 ALA C C 179.155 0.008 1 897 213 191 ALA CA C 53.328 0.030 1 898 213 191 ALA CB C 18.261 0.049 1 899 213 191 ALA N N 124.785 0.010 1 900 214 192 THR H H 8.115 0.006 1 901 214 192 THR C C 175.367 0.018 1 902 214 192 THR CA C 63.091 0.033 1 903 214 192 THR CB C 68.985 0.045 1 904 214 192 THR N N 113.447 0.015 1 905 215 193 ASP H H 8.386 0.002 1 906 215 193 ASP C C 177.475 0.006 1 907 215 193 ASP CA C 55.2 0.032 1 908 215 193 ASP CB C 40.172 0.069 1 909 215 193 ASP N N 122.61 0.041 1 910 216 194 ALA H H 8.17 0.001 1 911 216 194 ALA C C 178.975 0.010 1 912 216 194 ALA CA C 53.413 0.031 1 913 216 194 ALA CB C 18.087 0.108 1 914 216 194 ALA N N 123.614 0.010 1 915 217 195 ALA H H 8.147 0.001 1 916 217 195 ALA C C 178.85 0.003 1 917 217 195 ALA CA C 53.286 0.032 1 918 217 195 ALA CB C 18.014 0.096 1 919 217 195 ALA N N 121.593 0.009 1 920 218 196 ASN H H 8.176 0.001 1 921 218 196 ASN C C 176.034 0.007 1 922 218 196 ASN CA C 53.664 0.030 1 923 218 196 ASN CB C 38.24 0.039 1 924 218 196 ASN N N 116.722 0.009 1 925 219 197 ALA H H 8.066 0.001 1 926 219 197 ALA C C 178.447 0.009 1 927 219 197 ALA CA C 53.151 0.036 1 928 219 197 ALA CB C 18.202 0.092 1 929 219 197 ALA N N 123.376 0.008 1 930 220 198 ALA H H 8.102 0.002 1 931 220 198 ALA C C 178.543 0.017 1 932 220 198 ALA CA C 52.907 0.026 1 933 220 198 ALA CB C 18.161 0.091 1 934 220 198 ALA N N 121.352 0.012 1 935 221 199 GLN H H 8.109 0.006 1 936 221 199 GLN C C 176.295 0.007 1 937 221 199 GLN CA C 56.036 0.034 1 938 221 199 GLN CB C 28.497 0.074 1 939 221 199 GLN N N 117.814 0.013 1 940 222 200 ASN H H 8.274 0.001 1 941 222 200 ASN C C 175.471 0.005 1 942 222 200 ASN CA C 53.324 0.029 1 943 222 200 ASN CB C 38.3 0.033 1 944 222 200 ASN N N 118.729 0.009 1 945 223 201 ARG H H 8.196 0.001 1 946 223 201 ARG C C 176.291 0.008 1 947 223 201 ARG CA C 56.009 0.050 1 948 223 201 ARG CB C 29.907 0.024 1 949 223 201 ARG N N 121.104 0.009 1 950 224 202 ALA H H 8.301 0.001 1 951 224 202 ALA C C 177.981 0.007 1 952 224 202 ALA CA C 52.394 0.040 1 953 224 202 ALA CB C 18.53 0.030 1 954 224 202 ALA N N 124.366 0.015 1 955 225 203 SER H H 8.304 0.006 1 956 225 203 SER C C 175.01 0.011 1 957 225 203 SER CA C 58.185 0.044 1 958 225 203 SER CB C 63.394 0.079 1 959 225 203 SER N N 114.676 0.009 1 960 226 204 THR H H 8.222 0.001 1 961 226 204 THR C C 174.752 0.010 1 962 226 204 THR CA C 61.376 0.054 1 963 226 204 THR CB C 69.234 0.047 1 964 226 204 THR N N 115.336 0.018 1 965 227 205 THR H H 8.099 0.001 1 966 227 205 THR C C 174.52 0.015 1 967 227 205 THR CA C 61.889 0.040 1 968 227 205 THR CB C 69.432 0.012 1 969 227 205 THR N N 116.985 0.010 1 970 228 206 MET H H 8.228 0.002 1 971 228 206 MET C C 174.268 0.008 1 972 228 206 MET CA C 54.668 0.052 1 973 228 206 MET CB C 32.75 0.133 1 974 228 206 MET N N 121.916 0.033 1 975 229 207 ASP H H 8.095 0.002 1 976 229 207 ASP C C 175.203 0.007 1 977 229 207 ASP CA C 54.311 0.050 1 978 229 207 ASP CB C 41.948 0.107 1 979 229 207 ASP N N 121.294 0.034 1 980 230 208 VAL H H 8.308 0.002 1 981 230 208 VAL C C 174.343 0.009 1 982 230 208 VAL CA C 60.554 0.023 1 983 230 208 VAL CB C 33.9 0.020 1 984 230 208 VAL N N 121.369 0.015 1 985 231 209 GLN H H 8.953 0.001 1 986 231 209 GLN C C 174.48 0.016 1 987 231 209 GLN CA C 53.545 0.089 1 988 231 209 GLN CB C 32.92 0.086 1 989 231 209 GLN N N 122.217 0.011 1 990 232 210 SER H H 8.905 0.001 1 991 232 210 SER C C 174.062 0.007 1 992 232 210 SER CA C 57.235 0.085 1 993 232 210 SER CB C 63.603 0.015 1 994 232 210 SER N N 116.109 0.015 1 995 233 211 ALA H H 8.747 0.002 1 996 233 211 ALA C C 174.911 0.006 1 997 233 211 ALA CA C 51.204 0.042 1 998 233 211 ALA CB C 22.456 0.075 1 999 233 211 ALA N N 127.173 0.012 1 1000 234 212 ALA H H 8.091 0.001 1 1001 234 212 ALA C C 177.013 0.006 1 1002 234 212 ALA CA C 50.434 0.046 1 1003 234 212 ALA CB C 20.954 0.088 1 1004 234 212 ALA N N 122.051 0.014 1 1005 235 213 ASP H H 9.112 0.006 1 1006 235 213 ASP C C 178.091 0.009 1 1007 235 213 ASP CA C 52.469 0.045 1 1008 235 213 ASP CB C 40.852 0.041 1 1009 235 213 ASP N N 121.494 0.009 1 1010 236 214 ASP H H 8.485 0.006 1 1011 236 214 ASP C C 177.561 0.005 1 1012 236 214 ASP CA C 56.71 0.049 1 1013 236 214 ASP CB C 39.911 0.109 1 1014 236 214 ASP N N 116.559 0.014 1 1015 237 215 THR H H 8.609 0.001 1 1016 237 215 THR C C 174.791 0.009 1 1017 237 215 THR CA C 60.943 0.046 1 1018 237 215 THR CB C 69.001 0.030 1 1019 237 215 THR N N 110.588 0.018 1 1020 238 216 GLY H H 8.239 0.001 1 1021 238 216 GLY C C 174.574 0.010 1 1022 238 216 GLY CA C 44.732 0.044 1 1023 238 216 GLY N N 109.994 0.015 1 1024 239 217 LEU H H 8.437 0.001 1 1025 239 217 LEU C C 174.779 0.25 1 1026 239 217 LEU CA C 52.49 0.029 1 1027 239 217 LEU CB C 39.51 0.25 1 1028 239 217 LEU N N 124.954 0.008 1 1029 240 218 PRO C C 176.663 0.25 1 1030 240 218 PRO CA C 62.852 0.083 1 1031 240 218 PRO CB C 31.71 0.25 1 1032 241 219 MET H H 8.65 0.001 1 1033 241 219 MET C C 174.056 0.004 1 1034 241 219 MET CA C 55.204 0.043 1 1035 241 219 MET CB C 34.868 0.055 1 1036 241 219 MET N N 118.911 0.014 1 1037 242 220 LEU H H 9.251 0.001 1 1038 242 220 LEU C C 176.583 0.012 1 1039 242 220 LEU CA C 53.263 0.037 1 1040 242 220 LEU CB C 43.742 0.028 1 1041 242 220 LEU N N 120.766 0.041 1 1042 243 221 VAL H H 9.282 0.001 1 1043 243 221 VAL C C 174.783 0.011 1 1044 243 221 VAL CA C 60.788 0.073 1 1045 243 221 VAL CB C 33.64 0.036 1 1046 243 221 VAL N N 119.642 0.013 1 1047 244 222 VAL H H 9.397 0.001 1 1048 244 222 VAL C C 176.742 0.005 1 1049 244 222 VAL CA C 59.425 0.060 1 1050 244 222 VAL CB C 33.228 0.057 1 1051 244 222 VAL N N 126.839 0.009 1 1052 245 223 ARG H H 8.895 0.001 1 1053 245 223 ARG C C 174.223 0.009 1 1054 245 223 ARG CA C 55.864 0.066 1 1055 245 223 ARG CB C 27.575 0.061 1 1056 245 223 ARG N N 129.307 0.006 1 1057 246 224 GLY H H 8.376 0.006 1 1058 246 224 GLY C C 169.225 0.25 1 1059 246 224 GLY CA C 44.288 0.042 1 1060 246 224 GLY N N 113.117 0.013 1 1061 247 225 PRO C C 176.789 0.001 1 1062 247 225 PRO CA C 61.603 0.25 1 1063 247 225 PRO CB C 31.819 0.071 1 1064 248 226 PHE H H 9.242 0.001 1 1065 248 226 PHE C C 176.512 0.003 1 1066 248 226 PHE CA C 61.861 0.071 1 1067 248 226 PHE CB C 39.27 0.028 1 1068 248 226 PHE N N 124.893 0.009 1 1069 249 227 ASN H H 9.238 0.001 1 1070 249 227 ASN C C 177.923 0.004 1 1071 249 227 ASN CA C 56.476 0.043 1 1072 249 227 ASN CB C 37.239 0.060 1 1073 249 227 ASN N N 113.803 0.011 1 1074 250 228 VAL H H 7.099 0.006 1 1075 250 228 VAL C C 177.452 0.010 1 1076 250 228 VAL CA C 64.715 0.052 1 1077 250 228 VAL CB C 31.878 0.069 1 1078 250 228 VAL N N 118.908 0.014 1 1079 251 229 VAL H H 8.176 0.004 1 1080 251 229 VAL C C 177.253 0.005 1 1081 251 229 VAL CA C 67.465 0.031 1 1082 251 229 VAL CB C 30.784 0.066 1 1083 251 229 VAL N N 121.264 0.014 1 1084 252 230 TRP H H 9.253 0.001 1 1085 252 230 TRP C C 178.098 0.008 1 1086 252 230 TRP CA C 60.868 0.079 1 1087 252 230 TRP CB C 28.453 0.081 1 1088 252 230 TRP N N 117.455 0.007 1 1089 253 231 GLN H H 7.005 0.001 1 1090 253 231 GLN C C 178.281 0.013 1 1091 253 231 GLN CA C 57.978 0.051 1 1092 253 231 GLN CB C 28.369 0.044 1 1093 253 231 GLN N N 113.518 0.013 1 1094 254 232 ARG H H 7.994 0.006 1 1095 254 232 ARG C C 177.769 0.012 1 1096 254 232 ARG CA C 56.284 0.019 1 1097 254 232 ARG CB C 30.264 0.053 1 1098 254 232 ARG N N 116.862 0.015 1 1099 255 233 LEU H H 7.944 0.001 1 1100 255 233 LEU C C 174.791 0.25 1 1101 255 233 LEU CA C 59.579 0.068 1 1102 255 233 LEU CB C 39.738 0.25 1 1103 255 233 LEU N N 121.014 0.027 1 1104 256 234 PRO C C 178.611 0.25 1 1105 256 234 PRO CA C 67.314 0.028 1 1106 256 234 PRO CB C 29.893 0.038 1 1107 257 235 ALA H H 8.064 0.001 1 1108 257 235 ALA C C 180.14 0.009 1 1109 257 235 ALA CA C 54.182 0.024 1 1110 257 235 ALA CB C 18.09 0.021 1 1111 257 235 ALA N N 117.674 0.022 1 1112 258 236 ALA H H 7.479 0.001 1 1113 258 236 ALA C C 178.906 0.011 1 1114 258 236 ALA CA C 54.759 0.031 1 1115 258 236 ALA CB C 17.625 0.012 1 1116 258 236 ALA N N 121.228 0.013 1 1117 259 237 LEU H H 8.937 0.001 1 1118 259 237 LEU C C 179.597 0.011 1 1119 259 237 LEU CA C 56.951 0.038 1 1120 259 237 LEU CB C 38.953 0.077 1 1121 259 237 LEU N N 115.852 0.015 1 1122 260 238 GLU H H 7.666 0.001 1 1123 260 238 GLU C C 179.877 0.005 1 1124 260 238 GLU CA C 58.907 0.023 1 1125 260 238 GLU CB C 28.592 0.032 1 1126 260 238 GLU N N 118.053 0.020 1 1127 261 239 LYS H H 7.324 0.001 1 1128 261 239 LYS C C 176.449 0.010 1 1129 261 239 LYS CA C 57.737 0.033 1 1130 261 239 LYS CB C 31.747 0.090 1 1131 261 239 LYS N N 117.018 0.019 1 1132 262 240 VAL H H 7.257 0.001 1 1133 262 240 VAL C C 173.216 0.007 1 1134 262 240 VAL CA C 58.882 0.034 1 1135 262 240 VAL CB C 30.361 0.057 1 1136 262 240 VAL N N 109.117 0.013 1 1137 263 241 GLY H H 7.043 0.006 1 1138 263 241 GLY C C 175.14 0.009 1 1139 263 241 GLY CA C 45.062 0.021 1 1140 263 241 GLY N N 101.79 0.026 1 1141 264 242 MET H H 8.2 0.001 1 1142 264 242 MET C C 173.616 0.007 1 1143 264 242 MET CA C 54.93 0.023 1 1144 264 242 MET CB C 33.476 0.038 1 1145 264 242 MET N N 120.222 0.051 1 1146 265 243 LYS H H 8.511 0.001 1 1147 265 243 LYS C C 176.112 0.002 1 1148 265 243 LYS CA C 54.259 0.077 1 1149 265 243 LYS CB C 33.503 0.053 1 1150 265 243 LYS N N 123.046 0.014 1 1151 266 244 VAL H H 8.352 0.001 1 1152 266 244 VAL C C 177.479 0.008 1 1153 266 244 VAL CA C 62.483 0.033 1 1154 266 244 VAL CB C 31.559 0.058 1 1155 266 244 VAL N N 125.745 0.016 1 1156 267 245 THR H H 9.345 0.006 1 1157 267 245 THR C C 174.775 0.009 1 1158 267 245 THR CA C 61.988 0.094 1 1159 267 245 THR CB C 68.596 0.009 1 1160 267 245 THR N N 120.807 0.011 1 1161 268 246 ASP H H 7.806 0.006 1 1162 268 246 ASP C C 174.27 0.002 1 1163 268 246 ASP CA C 54.032 0.026 1 1164 268 246 ASP CB C 43.28 0.053 1 1165 268 246 ASP N N 119.968 0.015 1 1166 269 247 SER H H 8.438 0.006 1 1167 269 247 SER C C 173.526 0.003 1 1168 269 247 SER CA C 58.064 0.049 1 1169 269 247 SER CB C 65.505 0.064 1 1170 269 247 SER N N 114.991 0.013 1 1171 270 248 THR H H 9.211 0.006 1 1172 270 248 THR C C 175.264 0.004 1 1173 270 248 THR CA C 60.394 0.016 1 1174 270 248 THR CB C 69.591 0.027 1 1175 270 248 THR N N 117.607 0.008 1 1176 271 249 ARG H H 9.335 0.002 1 1177 271 249 ARG C C 178.853 0.008 1 1178 271 249 ARG CA C 59.671 0.018 1 1179 271 249 ARG CB C 29.073 0.097 1 1180 271 249 ARG N N 132.052 0.027 1 1181 272 250 SER H H 8.819 0.001 1 1182 272 250 SER C C 175.051 0.007 1 1183 272 250 SER CA C 60.428 0.069 1 1184 272 250 SER CB C 61.701 0.018 1 1185 272 250 SER N N 113.112 0.013 1 1186 273 251 GLN H H 6.849 0.001 1 1187 273 251 GLN C C 175.933 0.009 1 1188 273 251 GLN CA C 54.45 0.041 1 1189 273 251 GLN CB C 29.99 0.020 1 1190 273 251 GLN N N 116.307 0.012 1 1191 274 252 GLY H H 7.898 0.006 1 1192 274 252 GLY C C 172.749 0.006 1 1193 274 252 GLY CA C 46.388 0.083 1 1194 274 252 GLY N N 108.881 0.022 1 1195 275 253 ASN H H 7.639 0.001 1 1196 275 253 ASN C C 174.356 0.008 1 1197 275 253 ASN CA C 52.323 0.040 1 1198 275 253 ASN CB C 42.431 0.029 1 1199 275 253 ASN N N 114.895 0.013 1 1200 276 254 MET H H 9.324 0.006 1 1201 276 254 MET C C 173.322 0.007 1 1202 276 254 MET CA C 55.223 0.048 1 1203 276 254 MET CB C 36.063 0.056 1 1204 276 254 MET N N 120.359 0.013 1 1205 277 255 ALA H H 8.754 0.002 1 1206 277 255 ALA C C 176.343 0.009 1 1207 277 255 ALA CA C 51.22 0.034 1 1208 277 255 ALA CB C 19.86 0.063 1 1209 277 255 ALA N N 127.218 0.023 1 1210 278 256 VAL H H 8.6 0.001 1 1211 278 256 VAL C C 175.354 0.004 1 1212 278 256 VAL CA C 58.059 0.068 1 1213 278 256 VAL CB C 35.416 0.037 1 1214 278 256 VAL N N 116.148 0.013 1 1215 279 257 THR H H 9.128 0.001 1 1216 279 257 THR C C 173.886 0.006 1 1217 279 257 THR CA C 61.893 0.015 1 1218 279 257 THR CB C 70.959 0.028 1 1219 279 257 THR N N 120.786 0.005 1 1220 280 258 TYR H H 9.836 0.006 1 1221 280 258 TYR C C 174.65 0.011 1 1222 280 258 TYR CA C 55.362 0.030 1 1223 280 258 TYR CB C 40.997 0.078 1 1224 280 258 TYR N N 129.328 0.010 1 1225 281 259 LYS H H 8.315 0.001 1 1226 281 259 LYS C C 171.887 0.25 1 1227 281 259 LYS CA C 52.614 0.004 1 1228 281 259 LYS CB C 33.68 0.25 1 1229 281 259 LYS N N 132.872 0.014 1 1230 282 260 PRO C C 176.874 0.001 1 1231 282 260 PRO CA C 62.603 0.035 1 1232 282 260 PRO CB C 31.939 0.059 1 1233 283 261 LEU H H 5.983 0.006 1 1234 283 261 LEU C C 176.464 0.006 1 1235 283 261 LEU CA C 53.766 0.053 1 1236 283 261 LEU CB C 39.826 0.031 1 1237 283 261 LEU N N 119.197 0.019 1 1238 284 262 SER H H 8.599 0.006 1 1239 284 262 SER C C 174.765 0.008 1 1240 284 262 SER CA C 57.198 0.057 1 1241 284 262 SER CB C 64.365 0.072 1 1242 284 262 SER N N 114.901 0.015 1 1243 285 263 ASP H H 8.963 0.001 1 1244 285 263 ASP C C 179.324 0.005 1 1245 285 263 ASP CA C 58.286 0.025 1 1246 285 263 ASP CB C 40.081 0.032 1 1247 285 263 ASP N N 120.913 0.012 1 1248 286 264 SER H H 8.54 0.001 1 1249 286 264 SER C C 176.792 0.009 1 1250 286 264 SER CA C 61.056 0.056 1 1251 286 264 SER CB C 62.072 0.119 1 1252 286 264 SER N N 113.7 0.015 1 1253 287 265 ASP H H 7.735 0.001 1 1254 287 265 ASP C C 180.276 0.010 1 1255 287 265 ASP CA C 56.94 0.026 1 1256 287 265 ASP CB C 39.893 0.041 1 1257 287 265 ASP N N 124.026 0.015 1 1258 288 266 TRP H H 8.519 0.001 1 1259 288 266 TRP C C 179.112 0.008 1 1260 288 266 TRP CA C 60.394 0.013 1 1261 288 266 TRP CB C 28.947 0.086 1 1262 288 266 TRP N N 122.759 0.009 1 1263 289 267 GLN H H 7.99 0.001 1 1264 289 267 GLN C C 179.524 0.008 1 1265 289 267 GLN CA C 58.609 0.066 1 1266 289 267 GLN CB C 27.441 0.061 1 1267 289 267 GLN N N 117.861 0.013 1 1268 290 268 GLU H H 7.931 0.001 1 1269 290 268 GLU C C 178.263 0.006 1 1270 290 268 GLU CA C 58.45 0.063 1 1271 290 268 GLU CB C 28.696 0.049 1 1272 290 268 GLU N N 119.715 0.009 1 1273 291 269 LEU H H 7.761 0.006 1 1274 291 269 LEU C C 176.919 0.006 1 1275 291 269 LEU CA C 56.433 0.046 1 1276 291 269 LEU CB C 41.462 0.047 1 1277 291 269 LEU N N 119.425 0.011 1 1278 292 270 GLY H H 8.035 0.001 1 1279 292 270 GLY C C 174.042 0.011 1 1280 292 270 GLY CA C 44.55 0.041 1 1281 292 270 GLY N N 103.777 0.020 1 1282 293 271 ALA H H 7.811 0.001 1 1283 293 271 ALA C C 174.304 0.006 1 1284 293 271 ALA CA C 50.117 0.046 1 1285 293 271 ALA CB C 21.519 0.037 1 1286 293 271 ALA N N 121.607 0.014 1 1287 294 272 SER H H 7.645 0.001 1 1288 294 272 SER C C 172.273 0.006 1 1289 294 272 SER CA C 57.039 0.043 1 1290 294 272 SER CB C 64.059 0.019 1 1291 294 272 SER N N 112.704 0.016 1 1292 295 273 ASP H H 7.783 0.006 1 1293 295 273 ASP C C 176.357 0.25 1 1294 295 273 ASP CA C 51.102 0.25 1 1295 295 273 ASP CB C 40.928 0.25 1 1296 295 273 ASP N N 122.255 0.010 1 1297 296 274 PRO C C 176.732 0.001 1 1298 296 274 PRO CA C 62.717 0.057 1 1299 296 274 PRO CB C 31.141 0.011 1 1300 297 275 GLY H H 8.832 0.001 1 1301 297 275 GLY C C 175.039 0.004 1 1302 297 275 GLY CA C 45.918 0.078 1 1303 297 275 GLY N N 109.851 0.014 1 1304 298 276 LEU H H 7.304 0.001 1 1305 298 276 LEU C C 177.55 0.009 1 1306 298 276 LEU CA C 54.179 0.030 1 1307 298 276 LEU CB C 42.642 0.028 1 1308 298 276 LEU N N 121.033 0.010 1 1309 299 277 ALA H H 8.599 0.001 1 1310 299 277 ALA C C 179.145 0.009 1 1311 299 277 ALA CA C 51.445 0.041 1 1312 299 277 ALA CB C 18.679 0.021 1 1313 299 277 ALA N N 125.457 0.019 1 1314 300 278 SER H H 8.855 0.006 1 1315 300 278 SER C C 173.7 0.007 1 1316 300 278 SER CA C 58.869 0.032 1 1317 300 278 SER CB C 63.553 0.073 1 1318 300 278 SER N N 116.942 0.011 1 1319 301 279 GLY H H 8.587 0.001 1 1320 301 279 GLY C C 171.709 0.007 1 1321 301 279 GLY CA C 44.344 0.063 1 1322 301 279 GLY N N 108.25 0.019 1 1323 302 280 ASP H H 8.44 0.001 1 1324 302 280 ASP C C 175.348 0.009 1 1325 302 280 ASP CA C 54.038 0.021 1 1326 302 280 ASP CB C 40.15 0.045 1 1327 302 280 ASP N N 122.042 0.010 1 1328 303 281 TYR H H 9.408 0.006 1 1329 303 281 TYR C C 176.209 0.008 1 1330 303 281 TYR CA C 56.713 0.051 1 1331 303 281 TYR CB C 42.133 0.055 1 1332 303 281 TYR N N 120.784 0.009 1 1333 304 282 LYS H H 9.254 0.001 1 1334 304 282 LYS C C 174.141 0.010 1 1335 304 282 LYS CA C 54.621 0.031 1 1336 304 282 LYS CB C 33.863 0.039 1 1337 304 282 LYS N N 121.327 0.013 1 1338 305 283 LEU H H 9.112 0.001 1 1339 305 283 LEU C C 174.099 0.009 1 1340 305 283 LEU CA C 52.97 0.031 1 1341 305 283 LEU CB C 43.142 0.033 1 1342 305 283 LEU N N 125.047 0.015 1 1343 306 284 GLN H H 8.856 0.001 1 1344 306 284 GLN C C 175.533 0.007 1 1345 306 284 GLN CA C 53.742 0.046 1 1346 306 284 GLN CB C 29.948 0.030 1 1347 306 284 GLN N N 125.373 0.009 1 1348 307 285 VAL H H 9.919 0.006 1 1349 307 285 VAL C C 175.88 0.007 1 1350 307 285 VAL CA C 60.021 0.072 1 1351 307 285 VAL CB C 31.908 0.041 1 1352 307 285 VAL N N 131.06 0.010 1 1353 308 286 GLY H H 9.406 0.006 1 1354 308 286 GLY C C 172.964 0.008 1 1355 308 286 GLY CA C 43.547 0.046 1 1356 308 286 GLY N N 116.56 0.012 1 1357 309 287 ASP H H 8.578 0.001 1 1358 309 287 ASP C C 175.853 0.008 1 1359 309 287 ASP CA C 53.42 0.026 1 1360 309 287 ASP CB C 40.48 0.047 1 1361 309 287 ASP N N 121.755 0.010 1 1362 310 288 LEU H H 8.222 0.001 1 1363 310 288 LEU C C 178.202 0.009 1 1364 310 288 LEU CA C 53.492 0.027 1 1365 310 288 LEU CB C 40.723 0.025 1 1366 310 288 LEU N N 129.27 0.019 1 1367 311 289 ASP H H 8.877 0.001 1 1368 311 289 ASP C C 175.17 0.005 1 1369 311 289 ASP CA C 57.788 0.049 1 1370 311 289 ASP CB C 38.349 0.066 1 1371 311 289 ASP N N 116.092 0.013 1 1372 312 290 ASN H H 8.842 0.006 1 1373 312 290 ASN C C 173.422 0.007 1 1374 312 290 ASN CA C 53.351 0.021 1 1375 312 290 ASN CB C 37.262 0.046 1 1376 312 290 ASN N N 119.437 0.010 1 1377 313 291 ARG H H 7.523 0.001 1 1378 313 291 ARG C C 174.605 0.005 1 1379 313 291 ARG CA C 54.205 0.044 1 1380 313 291 ARG CB C 32.445 0.037 1 1381 313 291 ARG N N 117.039 0.012 1 1382 314 292 SER H H 8.86 0.006 1 1383 314 292 SER C C 172.525 0.006 1 1384 314 292 SER CA C 57.877 0.045 1 1385 314 292 SER CB C 66.791 0.001 1 1386 314 292 SER N N 113.584 0.014 1 1387 315 293 SER H H 9.435 0.001 1 1388 315 293 SER C C 173.701 0.008 1 1389 315 293 SER CA C 55.452 0.011 1 1390 315 293 SER CB C 66.692 0.027 1 1391 315 293 SER N N 118.703 0.013 1 1392 316 294 LEU H H 9.367 0.001 1 1393 316 294 LEU C C 175.401 0.028 1 1394 316 294 LEU CA C 53.376 0.023 1 1395 316 294 LEU CB C 43.493 0.034 1 1396 316 294 LEU N N 119.003 0.009 1 1397 317 295 GLN H H 8.386 0.001 1 1398 317 295 GLN C C 173.952 0.005 1 1399 317 295 GLN CA C 55.122 0.090 1 1400 317 295 GLN CB C 33.439 0.076 1 1401 317 295 GLN N N 122.48 0.066 1 1402 318 296 PHE H H 9.097 0.001 1 1403 318 296 PHE C C 175.028 0.012 1 1404 318 296 PHE CA C 57.768 0.034 1 1405 318 296 PHE CB C 41.792 0.051 1 1406 318 296 PHE N N 125.77 0.012 1 1407 319 297 ILE H H 9.365 0.001 1 1408 319 297 ILE C C 175.509 0.006 1 1409 319 297 ILE CA C 59.744 0.024 1 1410 319 297 ILE CB C 39.106 0.058 1 1411 319 297 ILE N N 121.14 0.018 1 1412 320 298 ASP H H 9.132 0.001 1 1413 320 298 ASP C C 176.271 0.25 1 1414 320 298 ASP CA C 52.812 0.017 1 1415 320 298 ASP CB C 39.891 0.25 1 1416 320 298 ASP N N 127.462 0.012 1 1417 321 299 PRO C C 178.148 0.004 1 1418 321 299 PRO CA C 64.63 0.004 1 1419 321 299 PRO CB C 31.577 0.25 1 1420 322 300 LYS H H 7.986 0.001 1 1421 322 300 LYS C C 176.58 0.010 1 1422 322 300 LYS CA C 54.616 0.082 1 1423 322 300 LYS CB C 31.398 0.051 1 1424 322 300 LYS N N 115.174 0.013 1 1425 323 301 GLY H H 8.472 0.001 1 1426 323 301 GLY C C 174.593 0.009 1 1427 323 301 GLY CA C 45.082 0.048 1 1428 323 301 GLY N N 107.662 0.024 1 1429 324 302 HIS H H 8.419 0.001 1 1430 324 302 HIS C C 175.28 0.011 1 1431 324 302 HIS CA C 53.5 0.025 1 1432 324 302 HIS CB C 29.685 0.047 1 1433 324 302 HIS N N 120.284 0.012 1 1434 325 303 THR H H 8.306 0.001 1 1435 325 303 THR C C 175.996 0.009 1 1436 325 303 THR CA C 61.664 0.064 1 1437 325 303 THR CB C 68.985 0.027 1 1438 325 303 THR N N 115.246 0.015 1 1439 326 304 LEU H H 7.897 0.001 1 1440 326 304 LEU C C 178.898 0.006 1 1441 326 304 LEU CA C 55.16 0.049 1 1442 326 304 LEU CB C 40.133 0.029 1 1443 326 304 LEU N N 120.066 0.011 1 1444 327 305 THR H H 8.479 0.001 1 1445 327 305 THR C C 175.216 0.005 1 1446 327 305 THR CA C 60.867 0.069 1 1447 327 305 THR CB C 70.428 0.042 1 1448 327 305 THR N N 110.917 0.023 1 1449 328 306 GLN H H 9.152 0.001 1 1450 328 306 GLN C C 177.868 0.006 1 1451 328 306 GLN CA C 59.436 0.072 1 1452 328 306 GLN CB C 27.875 0.065 1 1453 328 306 GLN N N 120.863 0.012 1 1454 329 307 SER H H 8.508 0.001 1 1455 329 307 SER C C 177.779 0.023 1 1456 329 307 SER CA C 61.336 0.034 1 1457 329 307 SER CB C 62.297 0.045 1 1458 329 307 SER N N 111.871 0.016 1 1459 330 308 GLN H H 7.517 0.001 1 1460 330 308 GLN C C 177.314 0.009 1 1461 330 308 GLN CA C 58.275 0.017 1 1462 330 308 GLN CB C 29.241 0.064 1 1463 330 308 GLN N N 122.241 0.013 1 1464 331 309 ASN H H 8.582 0.006 1 1465 331 309 ASN C C 177.322 0.006 1 1466 331 309 ASN CA C 57.51 0.037 1 1467 331 309 ASN CB C 40.977 0.035 1 1468 331 309 ASN N N 117.223 0.013 1 1469 332 310 ASP H H 8.821 0.001 1 1470 332 310 ASP C C 180.018 0.006 1 1471 332 310 ASP CA C 57.026 0.047 1 1472 332 310 ASP CB C 39.144 0.028 1 1473 332 310 ASP N N 116.648 0.014 1 1474 333 311 ALA H H 7.728 0.001 1 1475 333 311 ALA C C 179.142 0.009 1 1476 333 311 ALA CA C 54.016 0.025 1 1477 333 311 ALA CB C 18.229 0.089 1 1478 333 311 ALA N N 122.836 0.021 1 1479 334 312 LEU H H 7.81 0.001 1 1480 334 312 LEU C C 178.452 0.016 1 1481 334 312 LEU CA C 55.222 0.062 1 1482 334 312 LEU CB C 41.576 0.054 1 1483 334 312 LEU N N 116.236 0.018 1 1484 335 313 VAL H H 7.728 0.001 1 1485 335 313 VAL C C 177.624 0.005 1 1486 335 313 VAL CA C 67.138 0.064 1 1487 335 313 VAL CB C 30.46 0.055 1 1488 335 313 VAL N N 122.178 0.014 1 1489 336 314 ALA H H 8.27 0.002 1 1490 336 314 ALA C C 181.123 0.017 1 1491 336 314 ALA CA C 54.38 0.073 1 1492 336 314 ALA CB C 18.017 0.098 1 1493 336 314 ALA N N 118.39 0.021 1 1494 337 315 VAL H H 6.806 0.006 1 1495 337 315 VAL C C 177.053 0.009 1 1496 337 315 VAL CA C 65.5 0.086 1 1497 337 315 VAL CB C 31.153 0.015 1 1498 337 315 VAL N N 116.076 0.019 1 1499 338 316 PHE H H 8.668 0.001 1 1500 338 316 PHE C C 177.906 0.007 1 1501 338 316 PHE CA C 62.704 0.057 1 1502 338 316 PHE CB C 37.891 0.051 1 1503 338 316 PHE N N 116.686 0.013 1 1504 339 317 GLN H H 9.083 0.001 1 1505 339 317 GLN C C 179.29 0.005 1 1506 339 317 GLN CA C 59.281 0.076 1 1507 339 317 GLN CB C 27.74 0.025 1 1508 339 317 GLN N N 121.283 0.009 1 1509 340 318 ALA H H 7.524 0.001 1 1510 340 318 ALA C C 180.876 0.007 1 1511 340 318 ALA CA C 54.465 0.047 1 1512 340 318 ALA CB C 17.576 0.028 1 1513 340 318 ALA N N 119.785 0.017 1 1514 341 319 ALA H H 8.499 0.001 1 1515 341 319 ALA C C 179.47 0.005 1 1516 341 319 ALA CA C 55.237 0.031 1 1517 341 319 ALA CB C 18.211 0.067 1 1518 341 319 ALA N N 121.088 0.011 1 1519 342 320 PHE H H 8.374 0.006 1 1520 342 320 PHE C C 176.331 0.006 1 1521 342 320 PHE CA C 59.28 0.061 1 1522 342 320 PHE CB C 38.512 0.057 1 1523 342 320 PHE N N 112.088 0.016 1 1524 343 321 SER H H 7.663 0.006 1 1525 343 321 SER C C 173.61 0.007 1 1526 343 321 SER CA C 59.384 0.047 1 1527 343 321 SER CB C 64.182 0.072 1 1528 343 321 SER N N 114.202 0.012 1 1529 344 322 LYS H H 7.468 0.006 1 1530 344 322 LYS C C 181.287 0.25 1 1531 344 322 LYS CA C 57.017 0.036 1 1532 344 322 LYS CB C 32.943 0.25 1 1533 344 322 LYS N N 126.925 0.011 1 stop_ save_