data_17521 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of an E. coli lipoprotein ; _BMRB_accession_number 17521 _BMRB_flat_file_name bmr17521.str _Entry_type original _Submission_date 2011-03-11 _Accession_date 2011-03-11 _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 Pardi Arthur . . 2 Warner Lisa . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 residual_dipolar_couplings 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1086 "13C chemical shifts" 941 "15N chemical shifts" 243 "residual dipolar couplings" 156 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-08 update BMRB 'update entry citation' 2011-06-01 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of the BamC two-domain protein obtained by Rosetta with a limited NMR data set.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21624375 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Warner Lisa R. . 2 Varga Krisztina . . 3 Lange Oliver F. . 4 Baker Susan L. . 5 Baker David . . 6 Sousa Marcelo C. . 7 Pardi Arthur . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 411 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 83 _Page_last 95 _Year 2011 _Details . 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 $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BamC _Molecular_mass 12648.172 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 249 _Mol_residue_sequence ; GAMGDTASLLVENGRGNTLW PQVVSVLQAKNYTITQRDDA GQTLTTDWVQWNRLDEDEQY RGRYQISVKPQGYQQAVTVK LLNLEQAGKPVADAASMQRY STEMMNVISAGLDKSATDAA NAAQNRASTTMDVQSAADDT GLPMLVVRGPFNVVWQRLPA ALEKVGMKVTDSTRSQGNMA VTYKPLSDSDWQELGASDPG LASGDYKLQVGDLDNRSSLQ FIDPKGHTLTQSQNDALVAV FQAAFSKPG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 98 GLY 2 99 ALA 3 100 MET 4 101 GLY 5 102 ASP 6 103 THR 7 104 ALA 8 105 SER 9 106 LEU 10 107 LEU 11 108 VAL 12 109 GLU 13 110 ASN 14 111 GLY 15 112 ARG 16 113 GLY 17 114 ASN 18 115 THR 19 116 LEU 20 117 TRP 21 118 PRO 22 119 GLN 23 120 VAL 24 121 VAL 25 122 SER 26 123 VAL 27 124 LEU 28 125 GLN 29 126 ALA 30 127 LYS 31 128 ASN 32 129 TYR 33 130 THR 34 131 ILE 35 132 THR 36 133 GLN 37 134 ARG 38 135 ASP 39 136 ASP 40 137 ALA 41 138 GLY 42 139 GLN 43 140 THR 44 141 LEU 45 142 THR 46 143 THR 47 144 ASP 48 145 TRP 49 146 VAL 50 147 GLN 51 148 TRP 52 149 ASN 53 150 ARG 54 151 LEU 55 152 ASP 56 153 GLU 57 154 ASP 58 155 GLU 59 156 GLN 60 157 TYR 61 158 ARG 62 159 GLY 63 160 ARG 64 161 TYR 65 162 GLN 66 163 ILE 67 164 SER 68 165 VAL 69 166 LYS 70 167 PRO 71 168 GLN 72 169 GLY 73 170 TYR 74 171 GLN 75 172 GLN 76 173 ALA 77 174 VAL 78 175 THR 79 176 VAL 80 177 LYS 81 178 LEU 82 179 LEU 83 180 ASN 84 181 LEU 85 182 GLU 86 183 GLN 87 184 ALA 88 185 GLY 89 186 LYS 90 187 PRO 91 188 VAL 92 189 ALA 93 190 ASP 94 191 ALA 95 192 ALA 96 193 SER 97 194 MET 98 195 GLN 99 196 ARG 100 197 TYR 101 198 SER 102 199 THR 103 200 GLU 104 201 MET 105 202 MET 106 203 ASN 107 204 VAL 108 205 ILE 109 206 SER 110 207 ALA 111 208 GLY 112 209 LEU 113 210 ASP 114 211 LYS 115 212 SER 116 213 ALA 117 214 THR 118 215 ASP 119 216 ALA 120 217 ALA 121 218 ASN 122 219 ALA 123 220 ALA 124 221 GLN 125 222 ASN 126 223 ARG 127 224 ALA 128 225 SER 129 226 THR 130 227 THR 131 228 MET 132 229 ASP 133 230 VAL 134 231 GLN 135 232 SER 136 233 ALA 137 234 ALA 138 235 ASP 139 236 ASP 140 237 THR 141 238 GLY 142 239 LEU 143 240 PRO 144 241 MET 145 242 LEU 146 243 VAL 147 244 VAL 148 245 ARG 149 246 GLY 150 247 PRO 151 248 PHE 152 249 ASN 153 250 VAL 154 251 VAL 155 252 TRP 156 253 GLN 157 254 ARG 158 255 LEU 159 256 PRO 160 257 ALA 161 258 ALA 162 259 LEU 163 260 GLU 164 261 LYS 165 262 VAL 166 263 GLY 167 264 MET 168 265 LYS 169 266 VAL 170 267 THR 171 268 ASP 172 269 SER 173 270 THR 174 271 ARG 175 272 SER 176 273 GLN 177 274 GLY 178 275 ASN 179 276 MET 180 277 ALA 181 278 VAL 182 279 THR 183 280 TYR 184 281 LYS 185 282 PRO 186 283 LEU 187 284 SER 188 285 ASP 189 286 SER 190 287 ASP 191 288 TRP 192 289 GLN 193 290 GLU 194 291 LEU 195 292 GLY 196 293 ALA 197 294 SER 198 295 ASP 199 296 PRO 200 297 GLY 201 298 LEU 202 299 ALA 203 300 SER 204 301 GLY 205 302 ASP 206 303 TYR 207 304 LYS 208 305 LEU 209 306 GLN 210 307 VAL 211 308 GLY 212 309 ASP 213 310 LEU 214 311 ASP 215 312 ASN 216 313 ARG 217 314 SER 218 315 SER 219 316 LEU 220 317 GLN 221 318 PHE 222 319 ILE 223 320 ASP 224 321 PRO 225 322 LYS 226 323 GLY 227 324 HIS 228 325 THR 229 326 LEU 230 327 THR 231 328 GLN 232 329 SER 233 330 GLN 234 331 ASN 235 332 ASP 236 333 ALA 237 334 LEU 238 335 VAL 239 336 ALA 240 337 VAL 241 338 PHE 242 339 GLN 243 340 ALA 244 341 ALA 245 342 PHE 246 343 SER 247 344 LYS 248 345 PRO 249 346 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 BMRB 16035 BamC 97.99 322 100.00 100.00 2.67e-174 PDB 2LAE "Nmr Solution Structure Of The C-Terminal Domain Of The E. Coli Lipoprotein Bamc" 98.80 246 100.00 100.00 3.48e-177 PDB 2LAF "Nmr Solution Structure Of The N-Terminal Domain Of The E. Coli Lipoprotein Bamc" 98.80 246 100.00 100.00 3.48e-177 PDB 3TGO "Crystal Structure Of The E. Coli Bamcd Complex" 97.99 323 100.00 100.00 2.08e-174 DBJ BAA16354 "lipoprotein [Escherichia coli str. K12 substr. W3110]" 97.99 344 100.00 100.00 1.04e-174 DBJ BAB36762 "lipoprotein-34 [Escherichia coli O157:H7 str. Sakai]" 97.99 345 100.00 100.00 6.89e-175 DBJ BAG78285 "lipoprotein [Escherichia coli SE11]" 97.99 344 100.00 100.00 1.04e-174 DBJ BAI26723 "lipoprotein NlpB [Escherichia coli O26:H11 str. 11368]" 97.99 344 100.00 100.00 1.04e-174 DBJ BAI31755 "lipoprotein NlpB [Escherichia coli O103:H2 str. 12009]" 97.99 344 100.00 100.00 1.04e-174 EMBL CAA40661 "lipoprotein-34 [Escherichia coli K-12]" 97.99 344 100.00 100.00 1.04e-174 EMBL CAP76938 "Lipoprotein 34 [Escherichia coli LF82]" 97.99 344 99.18 99.59 1.04e-173 EMBL CAQ32848 "BamC, subunit of Outer Membrane Protein Assembly Complex [Escherichia coli BL21(DE3)]" 97.99 344 100.00 100.00 1.04e-174 EMBL CAQ99368 "lipoprotein [Escherichia coli IAI1]" 97.99 344 100.00 100.00 1.04e-174 EMBL CAR03928 "lipoprotein [Escherichia coli S88]" 97.99 344 99.18 99.59 1.04e-173 GB AAA24447 "DapX protein [Escherichia coli]" 57.43 143 99.30 99.30 7.21e-95 GB AAC75530 "BamABCDE complex OM biogenesis lipoprotein [Escherichia coli str. K-12 substr. MG1655]" 97.99 344 100.00 100.00 1.04e-174 GB AAG57587 "lipoprotein-34 [Escherichia coli O157:H7 str. EDL933]" 97.99 345 99.59 100.00 6.74e-175 GB AAN44023 "lipoprotein-34 [Shigella flexneri 2a str. 301]" 97.99 344 100.00 100.00 1.04e-174 GB AAN81455 "Lipoprotein-34 precursor [Escherichia coli CFT073]" 97.99 345 99.18 99.59 1.05e-173 REF NP_311366 "lipoprotein [Escherichia coli O157:H7 str. Sakai]" 97.99 344 100.00 100.00 6.80e-175 REF NP_416972 "BamABCDE complex OM biogenesis lipoprotein [Escherichia coli str. K-12 substr. MG1655]" 97.99 344 100.00 100.00 1.04e-174 REF NP_708316 "lipoprotein [Shigella flexneri 2a str. 301]" 97.99 344 100.00 100.00 1.04e-174 REF WP_000968412 "lipoprotein [Shigella dysenteriae]" 97.99 345 99.59 99.59 1.33e-173 REF WP_001295468 "lipoprotein [Escherichia coli]" 97.99 344 99.59 99.59 5.66e-174 SP P0A903 "RecName: Full=Outer membrane protein assembly factor BamC; Flags: Precursor" 97.99 344 100.00 100.00 1.04e-174 SP P0A904 "RecName: Full=Outer membrane protein assembly factor BamC; Flags: Precursor" 97.99 344 100.00 100.00 1.04e-174 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'E. coli' 562 Bacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . pET41b 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 $entity 1.1 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' HALT 1 X 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.1 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' HALT 1 X 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.1 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' HALT 1 X 'natural abundance' 'Pf1 phage' 21 mg/ml 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CS-NOE-RDC_Rosetta _Saveframe_category software _Name CS-NOE-RDC_Rosetta _Version . loop_ _Vendor _Address _Electronic_address 'David Baker' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNHAHB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHAHB' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_(H)C(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)C(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_IPAP_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC IPAP' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_IPAP_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC IPAP' _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' 0.2 . M pH 6.6 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio TSP C 13 'methyl protons' ppm 0.00 external indirect . 'spiked into experimental sample' . 0.251449530 TSP H 1 'methyl protons' ppm -0.012 internal direct . . . 1.000000000 TSP N 15 'methyl protons' ppm 0.00 external indirect . 'spiked into experimental sample' . 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 HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HNHAHB' '3D H(CCO)NH' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D (H)C(CO)NH' '3D HN(CA)CO' 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 98 1 GLY HA2 H 3.849 0.004 2 2 98 1 GLY C C 169.711 0.006 1 3 98 1 GLY CA C 43.470 0.051 1 4 99 2 ALA H H 8.594 0.007 1 5 99 2 ALA HA H 4.515 0.004 1 6 99 2 ALA HB H 1.411 0.006 1 7 99 2 ALA C C 176.999 0.029 1 8 99 2 ALA CA C 52.237 0.019 1 9 99 2 ALA CB C 20.311 0.025 1 10 99 2 ALA N N 124.243 0.038 1 11 100 3 MET H H 8.443 0.003 1 12 100 3 MET HA H 4.456 0.009 1 13 100 3 MET HB2 H 2.053 0.003 2 14 100 3 MET HG2 H 2.607 0.020 2 15 100 3 MET C C 176.382 0.003 1 16 100 3 MET CA C 55.943 0.045 1 17 100 3 MET CB C 33.133 0.037 1 18 100 3 MET CG C 32.165 0.020 1 19 100 3 MET N N 120.185 0.014 1 20 101 4 GLY H H 8.482 0.004 1 21 101 4 GLY HA2 H 4.087 0.006 2 22 101 4 GLY HA3 H 3.873 0.008 2 23 101 4 GLY C C 173.248 0.007 1 24 101 4 GLY CA C 46.022 0.013 1 25 101 4 GLY N N 110.382 0.013 1 26 102 5 ASP H H 8.046 0.090 1 27 102 5 ASP HA H 4.285 0.011 1 28 102 5 ASP HB2 H 3.418 0.008 2 29 102 5 ASP HB3 H 2.592 0.011 2 30 102 5 ASP C C 175.405 0.006 1 31 102 5 ASP CA C 54.245 0.042 1 32 102 5 ASP CB C 41.406 0.028 1 33 102 5 ASP N N 117.064 0.024 1 34 103 6 THR H H 7.723 0.005 1 35 103 6 THR HA H 5.558 0.008 1 36 103 6 THR HB H 3.996 0.004 1 37 103 6 THR HG2 H 1.088 0.002 1 38 103 6 THR C C 173.305 0.008 1 39 103 6 THR CA C 61.451 0.072 1 40 103 6 THR CB C 72.216 0.056 1 41 103 6 THR CG2 C 21.170 0.086 1 42 103 6 THR N N 113.484 0.022 1 43 104 7 ALA H H 9.248 0.015 1 44 104 7 ALA HA H 4.784 0.006 1 45 104 7 ALA HB H 1.303 0.013 1 46 104 7 ALA C C 175.069 0.008 1 47 104 7 ALA CA C 50.920 0.038 1 48 104 7 ALA CB C 22.050 0.022 1 49 104 7 ALA N N 129.484 0.036 1 50 105 8 SER H H 8.481 0.006 1 51 105 8 SER HA H 5.560 0.009 1 52 105 8 SER HB2 H 3.610 0.023 2 53 105 8 SER C C 172.689 0.008 1 54 105 8 SER CA C 57.465 0.026 1 55 105 8 SER CB C 66.172 0.020 1 56 105 8 SER N N 114.672 0.022 1 57 106 9 LEU H H 8.893 0.004 1 58 106 9 LEU HA H 4.630 0.008 1 59 106 9 LEU HB2 H 1.564 0.010 2 60 106 9 LEU HB3 H 1.735 0.012 2 61 106 9 LEU HG H 1.433 0.006 1 62 106 9 LEU HD1 H 0.956 0.014 1 63 106 9 LEU HD2 H 0.797 0.008 1 64 106 9 LEU C C 174.585 0.010 1 65 106 9 LEU CA C 53.926 0.099 1 66 106 9 LEU CB C 46.757 0.024 1 67 106 9 LEU CD1 C 23.589 0.086 2 68 106 9 LEU CD2 C 26.105 0.142 2 69 106 9 LEU N N 126.664 0.025 1 70 107 10 LEU H H 8.544 0.004 1 71 107 10 LEU HA H 5.001 0.009 1 72 107 10 LEU HB2 H 1.633 0.006 2 73 107 10 LEU HB3 H 1.360 0.005 2 74 107 10 LEU HG H 1.511 0.020 1 75 107 10 LEU HD1 H 0.753 0.011 1 76 107 10 LEU HD2 H 0.835 0.001 1 77 107 10 LEU C C 176.595 0.031 1 78 107 10 LEU CA C 54.071 0.081 1 79 107 10 LEU CB C 42.711 0.034 1 80 107 10 LEU CG C 27.066 0.020 1 81 107 10 LEU CD1 C 23.856 0.030 2 82 107 10 LEU CD2 C 24.755 0.015 2 83 107 10 LEU N N 127.425 0.036 1 84 108 11 VAL H H 9.044 0.005 1 85 108 11 VAL HA H 4.318 0.008 1 86 108 11 VAL HB H 1.941 0.005 1 87 108 11 VAL HG1 H 0.948 0.015 1 88 108 11 VAL HG2 H 0.831 0.008 1 89 108 11 VAL C C 175.442 0.013 1 90 108 11 VAL CA C 60.965 0.061 1 91 108 11 VAL CB C 34.443 0.040 1 92 108 11 VAL CG1 C 21.141 0.020 2 93 108 11 VAL CG2 C 21.039 0.102 2 94 108 11 VAL N N 123.489 0.040 1 95 109 12 GLU H H 8.758 0.003 1 96 109 12 GLU HA H 4.376 0.009 1 97 109 12 GLU HB2 H 2.150 0.020 2 98 109 12 GLU HB3 H 2.022 0.015 2 99 109 12 GLU HG2 H 2.358 0.020 2 100 109 12 GLU C C 176.256 0.013 1 101 109 12 GLU CA C 56.963 0.040 1 102 109 12 GLU CB C 30.362 0.021 1 103 109 12 GLU CG C 36.324 0.020 1 104 109 12 GLU N N 125.740 0.045 1 105 110 13 ASN H H 8.598 0.007 1 106 110 13 ASN HA H 4.712 0.006 1 107 110 13 ASN HB2 H 2.821 0.020 2 108 110 13 ASN HB3 H 2.787 0.002 2 109 110 13 ASN C C 176.052 0.011 1 110 110 13 ASN CA C 53.784 0.036 1 111 110 13 ASN CB C 39.197 0.044 1 112 110 13 ASN N N 119.602 0.032 1 113 111 14 GLY H H 8.519 0.004 1 114 111 14 GLY HA2 H 4.005 0.005 2 115 111 14 GLY HA3 H 3.927 0.002 2 116 111 14 GLY C C 174.496 0.003 1 117 111 14 GLY CA C 45.778 0.022 1 118 111 14 GLY N N 109.354 0.047 1 119 112 15 ARG H H 8.328 0.004 1 120 112 15 ARG HA H 4.382 0.008 1 121 112 15 ARG HB2 H 1.752 0.056 2 122 112 15 ARG HB3 H 1.901 0.004 2 123 112 15 ARG HD2 H 3.197 0.020 1 124 112 15 ARG C C 177.357 0.006 1 125 112 15 ARG CA C 56.111 0.073 1 126 112 15 ARG CB C 30.414 0.033 1 127 112 15 ARG CG C 27.239 0.020 1 128 112 15 ARG CD C 43.418 0.020 1 129 112 15 ARG N N 120.144 0.019 1 130 113 16 GLY H H 8.513 0.005 1 131 113 16 GLY HA2 H 4.011 0.018 2 132 113 16 GLY HA3 H 3.845 0.017 2 133 113 16 GLY C C 174.542 0.006 1 134 113 16 GLY CA C 46.359 0.073 1 135 113 16 GLY N N 109.811 0.098 1 136 114 17 ASN H H 8.456 0.006 1 137 114 17 ASN HA H 4.817 0.009 1 138 114 17 ASN HB2 H 2.917 0.017 2 139 114 17 ASN C C 175.968 0.011 1 140 114 17 ASN CA C 53.929 0.048 1 141 114 17 ASN CB C 38.286 0.015 1 142 114 17 ASN N N 118.764 0.018 1 143 115 18 THR H H 7.976 0.004 1 144 115 18 THR HA H 4.457 0.008 1 145 115 18 THR HG2 H 1.249 0.020 1 146 115 18 THR C C 175.271 0.004 1 147 115 18 THR CA C 61.494 0.042 1 148 115 18 THR CB C 69.494 0.006 1 149 115 18 THR CG2 C 21.649 0.020 1 150 115 18 THR N N 110.618 0.029 1 151 116 19 LEU H H 8.074 0.006 1 152 116 19 LEU HA H 4.296 0.006 1 153 116 19 LEU HB2 H 1.573 0.009 2 154 116 19 LEU HB3 H 1.783 0.005 2 155 116 19 LEU HD1 H 0.927 0.009 1 156 116 19 LEU HD2 H 0.800 0.011 1 157 116 19 LEU C C 177.787 0.009 1 158 116 19 LEU CA C 57.596 0.091 1 159 116 19 LEU CB C 42.608 0.046 1 160 116 19 LEU CD1 C 24.234 0.020 2 161 116 19 LEU CD2 C 26.219 0.020 2 162 116 19 LEU N N 125.260 0.029 1 163 117 20 TRP H H 8.973 0.004 1 164 117 20 TRP HA H 4.708 0.020 1 165 117 20 TRP HE1 H 10.939 0.003 1 166 117 20 TRP C C 173.412 0.020 1 167 117 20 TRP CA C 61.816 0.020 1 168 117 20 TRP CB C 27.493 0.020 1 169 117 20 TRP N N 118.059 0.025 1 170 117 20 TRP NE1 N 129.988 0.010 1 171 118 21 PRO HA H 3.837 0.002 1 172 118 21 PRO HB2 H 1.842 0.014 2 173 118 21 PRO HB3 H 2.204 0.007 2 174 118 21 PRO HD2 H 3.686 0.020 2 175 118 21 PRO HD3 H 3.686 0.020 2 176 118 21 PRO C C 179.667 0.012 1 177 118 21 PRO CA C 65.692 0.043 1 178 118 21 PRO CB C 30.361 0.063 1 179 118 21 PRO CG C 28.091 0.020 1 180 118 21 PRO CD C 49.253 0.020 1 181 119 22 GLN H H 7.446 0.006 1 182 119 22 GLN HA H 4.017 0.006 1 183 119 22 GLN HB2 H 2.292 0.006 2 184 119 22 GLN HB3 H 2.038 0.007 2 185 119 22 GLN HG2 H 2.528 0.020 2 186 119 22 GLN C C 178.523 0.033 1 187 119 22 GLN CA C 59.233 0.067 1 188 119 22 GLN CB C 28.821 0.077 1 189 119 22 GLN CG C 34.654 0.020 1 190 119 22 GLN N N 117.225 0.032 1 191 120 23 VAL H H 8.204 0.005 1 192 120 23 VAL HA H 3.215 0.008 1 193 120 23 VAL HB H 2.084 0.007 1 194 120 23 VAL HG1 H 0.940 0.004 1 195 120 23 VAL HG2 H 0.606 0.007 1 196 120 23 VAL C C 177.053 0.031 1 197 120 23 VAL CA C 67.515 0.026 1 198 120 23 VAL CB C 31.173 0.036 1 199 120 23 VAL CG1 C 24.000 0.114 2 200 120 23 VAL CG2 C 20.938 0.036 2 201 120 23 VAL N N 121.922 0.033 1 202 121 24 VAL H H 7.493 0.005 1 203 121 24 VAL HA H 2.858 0.003 1 204 121 24 VAL HB H 1.520 0.007 1 205 121 24 VAL HG1 H -0.252 0.008 1 206 121 24 VAL HG2 H 0.526 0.007 1 207 121 24 VAL C C 177.994 0.006 1 208 121 24 VAL CA C 67.467 0.023 1 209 121 24 VAL CB C 31.149 0.065 1 210 121 24 VAL CG1 C 21.449 0.051 2 211 121 24 VAL CG2 C 20.757 0.022 2 212 121 24 VAL N N 117.624 0.079 1 213 122 25 SER H H 7.839 0.005 1 214 122 25 SER HA H 4.181 0.005 1 215 122 25 SER HB2 H 3.940 0.015 2 216 122 25 SER C C 177.314 0.057 1 217 122 25 SER CA C 61.943 0.056 1 218 122 25 SER CB C 62.888 0.022 1 219 122 25 SER N N 113.497 0.026 1 220 123 26 VAL H H 7.944 0.007 1 221 123 26 VAL HA H 3.653 0.010 1 222 123 26 VAL HB H 2.289 0.009 1 223 123 26 VAL HG1 H 0.953 0.010 1 224 123 26 VAL HG2 H 1.034 0.001 1 225 123 26 VAL C C 177.689 0.008 1 226 123 26 VAL CA C 66.173 0.032 1 227 123 26 VAL CB C 31.483 0.019 1 228 123 26 VAL CG1 C 21.866 0.006 2 229 123 26 VAL CG2 C 23.013 0.040 2 230 123 26 VAL N N 123.446 0.045 1 231 124 27 LEU H H 7.339 0.008 1 232 124 27 LEU HA H 3.864 0.007 1 233 124 27 LEU HB2 H 1.978 0.006 2 234 124 27 LEU HB3 H 1.439 0.010 2 235 124 27 LEU HD1 H 0.842 0.020 1 236 124 27 LEU HD2 H 0.806 0.014 1 237 124 27 LEU C C 179.307 0.005 1 238 124 27 LEU CA C 57.871 0.051 1 239 124 27 LEU CB C 41.055 0.073 1 240 124 27 LEU CD1 C 23.417 0.025 2 241 124 27 LEU CD2 C 28.010 0.053 2 242 124 27 LEU N N 118.275 0.032 1 243 125 28 GLN H H 8.287 0.006 1 244 125 28 GLN HA H 4.146 0.009 1 245 125 28 GLN HB2 H 1.953 0.012 2 246 125 28 GLN HB3 H 2.175 0.065 2 247 125 28 GLN HG2 H 2.516 0.012 2 248 125 28 GLN C C 180.536 0.008 1 249 125 28 GLN CA C 58.884 0.018 1 250 125 28 GLN CB C 28.387 0.109 1 251 125 28 GLN CG C 34.638 0.020 1 252 125 28 GLN N N 117.044 0.041 1 253 126 29 ALA H H 8.251 0.006 1 254 126 29 ALA HA H 4.114 3.764 1 255 126 29 ALA HB H 1.480 0.008 1 256 126 29 ALA C C 179.381 0.007 1 257 126 29 ALA CA C 54.522 0.034 1 258 126 29 ALA CB C 17.922 0.033 1 259 126 29 ALA N N 123.556 0.044 1 260 127 30 LYS H H 6.969 0.007 1 261 127 30 LYS HA H 3.988 0.006 1 262 127 30 LYS HB2 H 0.925 0.009 2 263 127 30 LYS HB3 H 1.062 0.040 2 264 127 30 LYS HG2 H 1.506 0.020 2 265 127 30 LYS HD2 H 1.506 0.020 2 266 127 30 LYS HE2 H 2.954 0.020 2 267 127 30 LYS C C 175.367 0.003 1 268 127 30 LYS CA C 53.986 0.032 1 269 127 30 LYS CB C 30.165 0.022 1 270 127 30 LYS CG C 23.811 0.020 1 271 127 30 LYS CD C 27.410 0.020 1 272 127 30 LYS CE C 42.100 0.020 1 273 127 30 LYS N N 115.514 0.015 1 274 128 31 ASN H H 7.889 0.007 1 275 128 31 ASN HA H 4.270 0.004 1 276 128 31 ASN HB2 H 3.115 0.011 2 277 128 31 ASN HB3 H 2.756 0.005 2 278 128 31 ASN C C 174.952 0.021 1 279 128 31 ASN CA C 54.180 0.036 1 280 128 31 ASN CB C 36.929 0.063 1 281 128 31 ASN N N 113.419 0.028 1 282 129 32 TYR H H 7.348 0.006 1 283 129 32 TYR HA H 4.965 0.005 1 284 129 32 TYR HB2 H 2.795 0.006 2 285 129 32 TYR HB3 H 2.687 0.011 2 286 129 32 TYR C C 175.689 0.005 1 287 129 32 TYR CA C 54.302 0.037 1 288 129 32 TYR CB C 36.476 0.027 1 289 129 32 TYR N N 117.724 0.022 1 290 130 33 THR H H 8.648 0.005 1 291 130 33 THR HA H 4.171 0.008 1 292 130 33 THR HB H 4.084 0.010 1 293 130 33 THR HG2 H 1.184 0.020 1 294 130 33 THR C C 173.483 0.006 1 295 130 33 THR CA C 63.273 0.069 1 296 130 33 THR CB C 69.272 0.025 1 297 130 33 THR CG2 C 22.070 0.020 1 298 130 33 THR N N 120.322 0.024 1 299 131 34 ILE H H 8.838 0.006 1 300 131 34 ILE HA H 4.335 0.007 1 301 131 34 ILE HB H 1.859 0.004 1 302 131 34 ILE HG12 H 1.633 0.020 1 303 131 34 ILE HG13 H 1.633 0.020 1 304 131 34 ILE HG2 H 0.976 0.008 1 305 131 34 ILE HD1 H 0.851 0.004 1 306 131 34 ILE C C 176.427 0.008 1 307 131 34 ILE CA C 60.840 0.074 1 308 131 34 ILE CB C 39.312 0.038 1 309 131 34 ILE CG1 C 27.470 0.020 1 310 131 34 ILE CG2 C 19.400 0.035 1 311 131 34 ILE CD1 C 13.513 0.008 1 312 131 34 ILE N N 129.574 0.031 1 313 132 35 THR H H 8.769 0.004 1 314 132 35 THR HA H 4.290 0.010 1 315 132 35 THR HB H 4.141 0.017 1 316 132 35 THR HG2 H 1.065 0.002 1 317 132 35 THR C C 174.790 0.002 1 318 132 35 THR CA C 62.865 0.045 1 319 132 35 THR CB C 68.730 0.025 1 320 132 35 THR CG2 C 22.438 0.074 1 321 132 35 THR N N 119.943 0.036 1 322 133 36 GLN H H 7.559 0.005 1 323 133 36 GLN HA H 4.525 0.010 1 324 133 36 GLN HB2 H 2.010 0.004 2 325 133 36 GLN HG2 H 2.353 0.020 2 326 133 36 GLN C C 173.338 0.019 1 327 133 36 GLN CA C 55.741 0.037 1 328 133 36 GLN CB C 31.160 0.062 1 329 133 36 GLN CG C 33.449 0.020 1 330 133 36 GLN N N 121.696 0.024 1 331 134 37 ARG H H 8.779 0.004 1 332 134 37 ARG HA H 4.711 0.010 1 333 134 37 ARG HB2 H 1.889 0.038 2 334 134 37 ARG HB3 H 1.783 0.016 2 335 134 37 ARG HG2 H 1.712 0.014 2 336 134 37 ARG HD2 H 3.120 0.022 1 337 134 37 ARG C C 173.059 0.001 1 338 134 37 ARG CA C 56.486 0.021 1 339 134 37 ARG CB C 34.093 0.044 1 340 134 37 ARG CG C 27.475 0.020 1 341 134 37 ARG CD C 44.245 0.084 1 342 134 37 ARG N N 124.918 0.023 1 343 135 38 ASP H H 9.036 0.009 1 344 135 38 ASP HA H 4.949 0.006 1 345 135 38 ASP HB2 H 2.934 0.005 2 346 135 38 ASP HB3 H 2.499 0.013 2 347 135 38 ASP C C 176.120 0.011 1 348 135 38 ASP CA C 51.969 0.038 1 349 135 38 ASP CB C 41.469 0.014 1 350 135 38 ASP N N 127.406 0.025 1 351 136 39 ASP H H 8.950 0.005 1 352 136 39 ASP HA H 4.630 0.002 1 353 136 39 ASP HB2 H 2.917 0.011 2 354 136 39 ASP HB3 H 2.671 0.004 2 355 136 39 ASP C C 177.818 0.003 1 356 136 39 ASP CA C 57.401 0.055 1 357 136 39 ASP CB C 40.833 0.022 1 358 136 39 ASP N N 124.226 0.031 1 359 137 40 ALA H H 8.177 0.004 1 360 137 40 ALA HA H 4.137 0.011 1 361 137 40 ALA HB H 1.445 0.005 1 362 137 40 ALA C C 179.739 0.009 1 363 137 40 ALA CA C 54.759 0.053 1 364 137 40 ALA CB C 18.053 0.019 1 365 137 40 ALA N N 123.782 0.032 1 366 138 41 GLY H H 8.052 0.005 1 367 138 41 GLY HA2 H 3.978 0.005 2 368 138 41 GLY HA3 H 3.330 0.006 2 369 138 41 GLY C C 172.627 0.032 1 370 138 41 GLY CA C 45.152 0.017 1 371 138 41 GLY N N 105.127 0.026 1 372 139 42 GLN H H 7.229 0.004 1 373 139 42 GLN HA H 1.567 0.013 1 374 139 42 GLN HB2 H 1.356 0.325 2 375 139 42 GLN C C 172.354 0.035 1 376 139 42 GLN CA C 55.607 0.035 1 377 139 42 GLN CB C 26.666 0.023 1 378 139 42 GLN CG C 35.086 0.020 1 379 139 42 GLN N N 118.245 0.023 1 380 140 43 THR H H 7.394 0.009 1 381 140 43 THR HA H 5.374 0.012 1 382 140 43 THR HB H 3.824 0.008 1 383 140 43 THR HG2 H 1.065 0.008 1 384 140 43 THR C C 171.797 0.010 1 385 140 43 THR CA C 60.417 0.045 1 386 140 43 THR CB C 71.439 0.032 1 387 140 43 THR CG2 C 20.234 0.020 1 388 140 43 THR N N 110.690 0.023 1 389 141 44 LEU H H 9.436 0.009 1 390 141 44 LEU HA H 5.236 0.008 1 391 141 44 LEU HB2 H 2.131 0.014 2 392 141 44 LEU HB3 H 2.295 0.011 2 393 141 44 LEU HD1 H 0.711 0.005 1 394 141 44 LEU HD2 H 0.865 0.011 1 395 141 44 LEU C C 175.035 0.007 1 396 141 44 LEU CA C 54.352 0.043 1 397 141 44 LEU CB C 44.973 0.017 1 398 141 44 LEU CG C 25.262 0.020 1 399 141 44 LEU CD1 C 28.377 0.066 2 400 141 44 LEU CD2 C 25.246 0.010 2 401 141 44 LEU N N 124.381 0.017 1 402 142 45 THR H H 9.020 0.009 1 403 142 45 THR HA H 5.598 0.011 1 404 142 45 THR HB H 3.879 0.007 1 405 142 45 THR HG2 H 1.190 0.003 1 406 142 45 THR C C 174.470 0.007 1 407 142 45 THR CA C 60.905 0.027 1 408 142 45 THR CB C 71.723 0.033 1 409 142 45 THR CG2 C 21.456 0.040 1 410 142 45 THR N N 116.419 0.030 1 411 143 46 THR H H 9.363 0.007 1 412 143 46 THR HA H 5.203 0.007 1 413 143 46 THR HB H 4.588 0.012 1 414 143 46 THR HG2 H 1.057 0.010 1 415 143 46 THR C C 175.315 0.010 1 416 143 46 THR CA C 60.880 0.048 1 417 143 46 THR CB C 71.774 0.029 1 418 143 46 THR N N 115.997 0.043 1 419 144 47 ASP H H 8.129 0.004 1 420 144 47 ASP HA H 4.560 0.012 1 421 144 47 ASP HB2 H 2.890 0.006 2 422 144 47 ASP HB3 H 2.345 0.009 2 423 144 47 ASP C C 176.312 0.004 1 424 144 47 ASP CA C 52.461 0.014 1 425 144 47 ASP CB C 42.171 0.030 1 426 144 47 ASP N N 118.006 0.036 1 427 145 48 TRP H H 8.899 0.005 1 428 145 48 TRP HA H 4.234 0.005 1 429 145 48 TRP HB2 H 2.947 0.008 2 430 145 48 TRP HB3 H 2.754 0.017 2 431 145 48 TRP HE1 H 10.069 0.002 1 432 145 48 TRP C C 176.589 0.003 1 433 145 48 TRP CA C 58.570 0.017 1 434 145 48 TRP CB C 30.773 0.012 1 435 145 48 TRP N N 120.338 0.023 1 436 145 48 TRP NE1 N 129.644 0.012 1 437 146 49 VAL H H 9.744 0.005 1 438 146 49 VAL HA H 3.867 0.012 1 439 146 49 VAL HB H 1.794 0.010 1 440 146 49 VAL HG1 H 0.512 0.005 1 441 146 49 VAL HG2 H -0.405 0.005 1 442 146 49 VAL C C 174.756 0.024 1 443 146 49 VAL CA C 61.919 0.051 1 444 146 49 VAL CB C 34.278 0.032 1 445 146 49 VAL CG1 C 19.754 0.023 2 446 146 49 VAL CG2 C 19.999 0.135 2 447 146 49 VAL N N 127.304 0.027 1 448 147 50 GLN H H 8.365 0.004 1 449 147 50 GLN HA H 4.426 0.008 1 450 147 50 GLN HB2 H 1.922 0.005 2 451 147 50 GLN HB3 H 2.060 0.018 2 452 147 50 GLN HG2 H 2.281 0.020 2 453 147 50 GLN C C 175.090 0.018 1 454 147 50 GLN CA C 54.936 0.101 1 455 147 50 GLN CB C 30.230 0.049 1 456 147 50 GLN CG C 34.130 0.020 1 457 147 50 GLN N N 125.222 0.020 1 458 148 51 TRP H H 8.543 0.009 1 459 148 51 TRP HA H 5.112 0.009 1 460 148 51 TRP HB2 H 3.389 0.007 2 461 148 51 TRP HB3 H 3.596 0.003 2 462 148 51 TRP HE1 H 9.578 0.002 1 463 148 51 TRP C C 175.563 0.025 1 464 148 51 TRP CA C 55.968 0.050 1 465 148 51 TRP CB C 31.480 0.020 1 466 148 51 TRP N N 127.821 0.043 1 467 148 51 TRP NE1 N 123.327 0.024 1 468 149 52 ASN H H 8.713 0.005 1 469 149 52 ASN HA H 5.038 0.004 1 470 149 52 ASN HB2 H 2.908 0.002 2 471 149 52 ASN HB3 H 2.795 0.004 2 472 149 52 ASN C C 174.876 0.008 1 473 149 52 ASN CA C 53.661 0.064 1 474 149 52 ASN CB C 40.307 0.030 1 475 149 52 ASN N N 119.025 0.022 1 476 150 53 ARG H H 9.112 0.007 1 477 150 53 ARG HA H 4.631 0.004 1 478 150 53 ARG HB2 H 1.810 0.027 2 479 150 53 ARG HB3 H 2.219 0.008 2 480 150 53 ARG HD2 H 3.297 0.020 1 481 150 53 ARG C C 177.175 0.020 1 482 150 53 ARG CA C 55.842 0.033 1 483 150 53 ARG CB C 33.177 0.015 1 484 150 53 ARG CG C 27.933 0.020 1 485 150 53 ARG CD C 43.126 0.020 1 486 150 53 ARG N N 123.518 0.040 1 487 151 54 LEU H H 8.660 0.007 1 488 151 54 LEU HA H 4.302 0.003 1 489 151 54 LEU HB2 H 1.661 0.022 2 490 151 54 LEU HB3 H 1.706 0.005 2 491 151 54 LEU HD1 H 0.933 0.006 1 492 151 54 LEU HD2 H 0.897 0.020 1 493 151 54 LEU C C 177.327 0.002 1 494 151 54 LEU CA C 56.419 0.045 1 495 151 54 LEU CB C 42.033 0.041 1 496 151 54 LEU CG C 27.136 0.020 1 497 151 54 LEU CD1 C 24.903 0.031 2 498 151 54 LEU CD2 C 23.529 0.022 2 499 151 54 LEU N N 122.678 0.016 1 500 152 55 ASP H H 8.395 0.004 1 501 152 55 ASP HA H 4.501 0.012 1 502 152 55 ASP HB2 H 2.900 0.004 2 503 152 55 ASP HB3 H 2.620 0.012 2 504 152 55 ASP C C 175.887 0.047 1 505 152 55 ASP CA C 53.992 0.064 1 506 152 55 ASP CB C 39.922 0.047 1 507 152 55 ASP N N 116.290 0.034 1 508 153 56 GLU H H 7.579 0.007 1 509 153 56 GLU HA H 4.693 0.009 1 510 153 56 GLU HB2 H 1.915 0.001 2 511 153 56 GLU HB3 H 2.176 0.007 2 512 153 56 GLU HG2 H 2.349 0.020 2 513 153 56 GLU C C 175.983 0.005 1 514 153 56 GLU CA C 55.562 0.016 1 515 153 56 GLU CB C 31.059 0.036 1 516 153 56 GLU CG C 35.651 0.020 1 517 153 56 GLU N N 118.301 0.024 1 518 154 57 ASP H H 8.604 0.004 1 519 154 57 ASP HA H 4.609 0.007 1 520 154 57 ASP HB2 H 2.750 0.012 2 521 154 57 ASP HB3 H 2.665 0.008 2 522 154 57 ASP C C 176.511 0.007 1 523 154 57 ASP CA C 55.586 0.041 1 524 154 57 ASP CB C 41.487 0.019 1 525 154 57 ASP N N 121.185 0.036 1 526 155 58 GLU H H 7.994 0.004 1 527 155 58 GLU HA H 4.441 0.003 1 528 155 58 GLU HB2 H 1.899 0.011 2 529 155 58 GLU HG2 H 2.211 0.020 2 530 155 58 GLU C C 175.544 0.004 1 531 155 58 GLU CA C 55.672 0.027 1 532 155 58 GLU CB C 31.416 0.056 1 533 155 58 GLU CG C 36.216 0.020 1 534 155 58 GLU N N 118.937 0.020 1 535 156 59 GLN H H 8.493 0.008 1 536 156 59 GLN HA H 4.505 0.012 1 537 156 59 GLN HB2 H 2.411 0.020 2 538 156 59 GLN HB3 H 1.862 0.012 2 539 156 59 GLN HG2 H 2.532 0.020 2 540 156 59 GLN C C 175.989 0.020 1 541 156 59 GLN CA C 55.312 0.061 1 542 156 59 GLN CB C 29.130 0.018 1 543 156 59 GLN CG C 33.337 0.020 1 544 156 59 GLN N N 119.731 0.024 1 545 157 60 TYR H H 9.164 0.006 1 546 157 60 TYR HA H 5.356 0.011 1 547 157 60 TYR HB2 H 2.330 0.010 2 548 157 60 TYR HB3 H 2.223 0.014 2 549 157 60 TYR C C 175.707 0.013 1 550 157 60 TYR CA C 57.325 0.017 1 551 157 60 TYR CB C 41.263 0.016 1 552 157 60 TYR N N 122.406 0.018 1 553 158 61 ARG H H 8.965 0.003 1 554 158 61 ARG HA H 5.811 0.005 1 555 158 61 ARG HB2 H 1.702 0.014 2 556 158 61 ARG HB3 H 1.488 0.010 2 557 158 61 ARG HG2 H 1.231 0.020 2 558 158 61 ARG HD2 H 2.663 0.020 2 559 158 61 ARG HD3 H 2.226 0.020 2 560 158 61 ARG C C 174.891 0.006 1 561 158 61 ARG CA C 54.068 0.008 1 562 158 61 ARG CB C 34.520 0.022 1 563 158 61 ARG CG C 25.392 0.020 1 564 158 61 ARG CD C 43.899 0.020 1 565 158 61 ARG N N 115.829 0.018 1 566 159 62 GLY H H 9.070 0.004 1 567 159 62 GLY HA2 H 5.827 0.007 2 568 159 62 GLY HA3 H 3.495 0.007 2 569 159 62 GLY C C 171.330 0.010 1 570 159 62 GLY CA C 44.839 0.056 1 571 159 62 GLY N N 106.842 0.032 1 572 160 63 ARG H H 7.874 0.005 1 573 160 63 ARG HA H 4.307 0.006 1 574 160 63 ARG HB2 H 1.138 0.012 2 575 160 63 ARG HB3 H 1.051 0.020 2 576 160 63 ARG HG2 H 0.428 0.020 2 577 160 63 ARG HD2 H 1.988 0.020 1 578 160 63 ARG C C 175.001 0.012 1 579 160 63 ARG CA C 55.569 0.070 1 580 160 63 ARG CB C 33.409 0.019 1 581 160 63 ARG CG C 27.094 0.020 1 582 160 63 ARG CD C 42.812 0.020 1 583 160 63 ARG N N 119.297 0.023 1 584 161 64 TYR H H 7.898 0.004 1 585 161 64 TYR HA H 5.448 0.012 1 586 161 64 TYR HB2 H 2.784 0.012 2 587 161 64 TYR C C 173.839 0.006 1 588 161 64 TYR CA C 57.962 0.041 1 589 161 64 TYR CB C 42.836 0.016 1 590 161 64 TYR N N 118.655 0.061 1 591 162 65 GLN H H 9.666 0.004 1 592 162 65 GLN HA H 5.654 0.009 1 593 162 65 GLN HB2 H 2.145 0.013 2 594 162 65 GLN HG2 H 2.395 0.020 2 595 162 65 GLN C C 175.568 0.005 1 596 162 65 GLN CA C 54.587 0.035 1 597 162 65 GLN CB C 32.358 0.037 1 598 162 65 GLN CG C 33.987 0.020 1 599 162 65 GLN N N 122.082 0.015 1 600 163 66 ILE H H 9.360 0.011 1 601 163 66 ILE HA H 5.395 0.011 1 602 163 66 ILE HB H 1.714 0.007 1 603 163 66 ILE HG12 H 1.264 0.010 1 604 163 66 ILE HG13 H 1.602 0.020 2 605 163 66 ILE HG2 H 0.934 0.015 1 606 163 66 ILE HD1 H 0.870 0.022 1 607 163 66 ILE C C 174.202 0.006 1 608 163 66 ILE CA C 59.855 0.042 1 609 163 66 ILE CB C 40.709 0.015 1 610 163 66 ILE CG1 C 28.905 0.020 1 611 163 66 ILE CG2 C 17.401 0.010 1 612 163 66 ILE CD1 C 14.690 0.079 1 613 163 66 ILE N N 130.785 0.046 1 614 164 67 SER H H 9.019 0.005 1 615 164 67 SER HA H 5.988 0.004 1 616 164 67 SER HB2 H 3.991 0.013 2 617 164 67 SER HB3 H 3.871 0.014 2 618 164 67 SER C C 173.190 0.006 1 619 164 67 SER CA C 56.479 0.028 1 620 164 67 SER CB C 66.996 0.054 1 621 164 67 SER N N 119.675 0.022 1 622 165 68 VAL H H 8.203 0.005 1 623 165 68 VAL HA H 5.344 0.007 1 624 165 68 VAL HB H 2.150 0.005 1 625 165 68 VAL HG1 H 1.295 0.005 1 626 165 68 VAL HG2 H 0.974 0.011 1 627 165 68 VAL C C 175.321 0.006 1 628 165 68 VAL CA C 61.217 0.038 1 629 165 68 VAL CB C 35.092 0.157 1 630 165 68 VAL CG1 C 23.845 0.057 2 631 165 68 VAL CG2 C 22.491 0.029 2 632 165 68 VAL N N 120.811 0.028 1 633 166 69 LYS H H 8.958 0.005 1 634 166 69 LYS HA H 5.019 0.020 1 635 166 69 LYS HB2 H 1.792 0.020 2 636 166 69 LYS C C 172.959 0.020 1 637 166 69 LYS CA C 52.997 0.020 1 638 166 69 LYS N N 127.550 0.025 1 639 167 70 PRO HA H 4.563 0.007 1 640 167 70 PRO HB2 H 1.977 0.020 2 641 167 70 PRO HB3 H 2.367 0.001 2 642 167 70 PRO HG2 H 2.097 0.020 2 643 167 70 PRO HD2 H 3.747 0.020 2 644 167 70 PRO HD3 H 3.747 0.020 2 645 167 70 PRO C C 176.787 0.002 1 646 167 70 PRO CA C 63.200 0.022 1 647 167 70 PRO CB C 32.396 0.059 1 648 167 70 PRO CG C 27.521 0.020 1 649 167 70 PRO CD C 50.841 0.020 1 650 168 71 GLN H H 8.398 0.003 1 651 168 71 GLN HA H 4.420 0.007 1 652 168 71 GLN HB2 H 1.784 0.004 2 653 168 71 GLN HB3 H 1.669 0.029 2 654 168 71 GLN HG2 H 2.149 0.020 2 655 168 71 GLN HG3 H 1.976 0.020 2 656 168 71 GLN C C 175.270 0.001 1 657 168 71 GLN CA C 55.114 0.023 1 658 168 71 GLN CB C 30.023 0.071 1 659 168 71 GLN CG C 33.974 0.020 1 660 168 71 GLN N N 124.276 0.020 1 661 169 72 GLY H H 8.823 0.007 1 662 169 72 GLY HA2 H 4.003 0.011 2 663 169 72 GLY HA3 H 3.527 0.002 2 664 169 72 GLY C C 174.990 0.020 1 665 169 72 GLY CA C 46.960 0.044 1 666 169 72 GLY N N 116.253 0.036 1 667 170 73 TYR H H 8.687 0.006 1 668 170 73 TYR HA H 4.698 0.004 1 669 170 73 TYR HB2 H 3.274 0.008 2 670 170 73 TYR HB3 H 3.018 0.009 2 671 170 73 TYR C C 175.140 0.020 1 672 170 73 TYR CA C 58.149 0.039 1 673 170 73 TYR CB C 37.794 0.060 1 674 170 73 TYR N N 126.113 0.036 1 675 171 74 GLN H H 7.795 0.004 1 676 171 74 GLN HA H 4.780 0.006 1 677 171 74 GLN HB2 H 2.007 0.007 2 678 171 74 GLN HB3 H 2.104 0.011 2 679 171 74 GLN C C 174.856 0.003 1 680 171 74 GLN CA C 54.785 0.049 1 681 171 74 GLN CB C 32.019 0.081 1 682 171 74 GLN CG C 34.780 0.020 1 683 171 74 GLN N N 118.915 0.023 1 684 172 75 GLN H H 8.615 0.004 1 685 172 75 GLN HA H 4.666 0.004 1 686 172 75 GLN HB2 H 1.933 0.055 2 687 172 75 GLN HB3 H 1.655 0.002 2 688 172 75 GLN HG2 H 2.208 0.020 2 689 172 75 GLN C C 173.410 0.008 1 690 172 75 GLN CA C 55.020 0.068 1 691 172 75 GLN CB C 32.448 0.075 1 692 172 75 GLN CG C 33.965 0.020 1 693 172 75 GLN N N 118.647 0.043 1 694 173 76 ALA H H 9.123 0.008 1 695 173 76 ALA HA H 5.329 0.008 1 696 173 76 ALA HB H 1.177 0.007 1 697 173 76 ALA C C 177.131 0.006 1 698 173 76 ALA CA C 50.489 0.021 1 699 173 76 ALA CB C 20.898 0.021 1 700 173 76 ALA N N 123.587 0.038 1 701 174 77 VAL H H 9.316 0.008 1 702 174 77 VAL HA H 4.914 0.009 1 703 174 77 VAL HB H 2.186 0.008 1 704 174 77 VAL HG1 H 0.939 0.005 1 705 174 77 VAL C C 175.531 0.010 1 706 174 77 VAL CA C 61.139 0.061 1 707 174 77 VAL CB C 32.629 0.035 1 708 174 77 VAL CG1 C 21.259 0.018 2 709 174 77 VAL N N 125.348 0.033 1 710 175 78 THR H H 9.407 0.005 1 711 175 78 THR HA H 4.997 0.008 1 712 175 78 THR HB H 3.992 0.011 1 713 175 78 THR HG2 H 1.105 0.004 1 714 175 78 THR C C 173.260 0.006 1 715 175 78 THR CA C 61.759 0.047 1 716 175 78 THR CB C 70.532 0.088 1 717 175 78 THR CG2 C 21.651 0.056 1 718 175 78 THR N N 122.067 0.024 1 719 176 79 VAL H H 9.242 0.005 1 720 176 79 VAL HA H 4.525 0.009 1 721 176 79 VAL HB H 2.137 0.008 1 722 176 79 VAL HG1 H 1.069 0.012 1 723 176 79 VAL HG2 H 0.898 0.011 1 724 176 79 VAL C C 173.052 0.002 1 725 176 79 VAL CA C 61.377 0.067 1 726 176 79 VAL CB C 34.656 0.034 1 727 176 79 VAL CG1 C 22.600 0.043 2 728 176 79 VAL CG2 C 22.557 0.020 2 729 176 79 VAL N N 126.281 0.018 1 730 177 80 LYS H H 9.333 0.006 1 731 177 80 LYS HA H 5.349 0.010 1 732 177 80 LYS HB2 H 1.970 0.014 2 733 177 80 LYS HB3 H 1.621 0.008 2 734 177 80 LYS HG2 H 1.059 0.020 2 735 177 80 LYS HD2 H 1.240 0.020 2 736 177 80 LYS HE2 H 2.870 0.020 2 737 177 80 LYS C C 175.486 0.007 1 738 177 80 LYS CA C 54.121 0.062 1 739 177 80 LYS CB C 35.987 0.061 1 740 177 80 LYS CG C 25.178 0.020 1 741 177 80 LYS CD C 29.613 0.020 1 742 177 80 LYS CE C 42.207 0.020 1 743 177 80 LYS N N 128.215 0.022 1 744 178 81 LEU H H 9.388 0.006 1 745 178 81 LEU HA H 4.154 0.007 1 746 178 81 LEU HB2 H 1.904 0.004 2 747 178 81 LEU HB3 H 1.295 0.008 2 748 178 81 LEU HG H 1.306 0.013 1 749 178 81 LEU HD1 H 1.034 0.011 1 750 178 81 LEU HD2 H 0.639 0.008 1 751 178 81 LEU C C 174.386 0.003 1 752 178 81 LEU CA C 54.235 0.034 1 753 178 81 LEU CB C 43.256 0.069 1 754 178 81 LEU CG C 27.130 0.021 1 755 178 81 LEU CD1 C 29.103 0.078 2 756 178 81 LEU CD2 C 23.910 0.043 2 757 178 81 LEU N N 130.385 0.041 1 758 179 82 LEU H H 8.583 0.006 1 759 179 82 LEU HA H 4.039 0.010 1 760 179 82 LEU HB2 H 1.301 0.023 2 761 179 82 LEU HG H 1.530 0.019 1 762 179 82 LEU HD1 H 0.727 0.014 1 763 179 82 LEU HD2 H 0.748 0.001 1 764 179 82 LEU C C 177.325 0.011 1 765 179 82 LEU CA C 56.198 0.035 1 766 179 82 LEU CB C 43.146 0.056 1 767 179 82 LEU CG C 26.267 0.020 1 768 179 82 LEU CD1 C 21.739 0.012 2 769 179 82 LEU CD2 C 26.247 0.018 2 770 179 82 LEU N N 126.992 0.039 1 771 180 83 ASN H H 6.876 0.004 1 772 180 83 ASN HA H 4.825 0.006 1 773 180 83 ASN HB2 H 3.015 0.003 2 774 180 83 ASN HB3 H 1.954 0.005 2 775 180 83 ASN C C 171.455 0.005 1 776 180 83 ASN CA C 53.763 0.034 1 777 180 83 ASN CB C 44.761 0.057 1 778 180 83 ASN N N 110.418 0.046 1 779 181 84 LEU H H 9.096 0.004 1 780 181 84 LEU HA H 5.440 0.012 1 781 181 84 LEU HB2 H 1.375 0.014 2 782 181 84 LEU HB3 H 2.344 0.004 2 783 181 84 LEU HD1 H 0.899 0.013 1 784 181 84 LEU C C 174.440 0.006 1 785 181 84 LEU CA C 54.137 0.016 1 786 181 84 LEU CB C 46.051 0.017 1 787 181 84 LEU CD1 C 26.746 0.042 2 788 181 84 LEU CD2 C 22.023 0.020 2 789 181 84 LEU N N 125.221 0.033 1 790 182 85 GLU H H 9.335 0.005 1 791 182 85 GLU HA H 5.212 0.008 1 792 182 85 GLU HB2 H 1.417 0.015 2 793 182 85 GLU HG2 H 2.027 0.020 2 794 182 85 GLU HG3 H 1.768 0.020 2 795 182 85 GLU C C 174.426 0.005 1 796 182 85 GLU CA C 54.291 0.035 1 797 182 85 GLU CB C 35.539 0.007 1 798 182 85 GLU CG C 36.103 0.020 1 799 182 85 GLU N N 125.256 0.043 1 800 183 86 GLN H H 8.672 0.004 1 801 183 86 GLN HA H 4.255 0.011 1 802 183 86 GLN HB2 H 1.684 0.007 2 803 183 86 GLN HB3 H 0.933 0.023 2 804 183 86 GLN HG2 H 1.395 0.020 2 805 183 86 GLN C C 175.365 0.011 1 806 183 86 GLN CA C 54.826 0.035 1 807 183 86 GLN CB C 31.259 0.019 1 808 183 86 GLN CG C 33.469 0.020 1 809 183 86 GLN N N 121.405 0.033 1 810 184 87 ALA H H 8.953 0.005 1 811 184 87 ALA HA H 3.909 0.008 1 812 184 87 ALA HB H 1.263 0.009 1 813 184 87 ALA C C 177.050 0.005 1 814 184 87 ALA CA C 53.043 0.002 1 815 184 87 ALA CB C 17.348 0.020 1 816 184 87 ALA N N 132.330 0.046 1 817 185 88 GLY H H 8.483 0.005 1 818 185 88 GLY HA2 H 3.909 0.009 2 819 185 88 GLY HA3 H 3.453 0.004 2 820 185 88 GLY C C 173.659 0.003 1 821 185 88 GLY CA C 45.264 0.016 1 822 185 88 GLY N N 103.196 0.019 1 823 186 89 LYS H H 7.735 0.003 1 824 186 89 LYS HA H 4.870 0.020 1 825 186 89 LYS HB2 H 1.804 0.020 2 826 186 89 LYS C C 173.586 0.020 1 827 186 89 LYS CA C 52.776 0.020 1 828 186 89 LYS CB C 33.437 0.020 1 829 186 89 LYS N N 121.425 0.021 1 830 187 90 PRO HA H 4.813 0.004 1 831 187 90 PRO HB2 H 1.989 0.004 2 832 187 90 PRO HB3 H 2.482 0.001 2 833 187 90 PRO HG2 H 2.183 0.020 2 834 187 90 PRO HD2 H 3.954 0.020 2 835 187 90 PRO HD3 H 3.724 0.020 2 836 187 90 PRO C C 176.911 0.003 1 837 187 90 PRO CA C 63.291 0.023 1 838 187 90 PRO CB C 32.502 0.040 1 839 187 90 PRO CG C 27.659 0.020 1 840 187 90 PRO CD C 50.808 0.020 1 841 188 91 VAL H H 8.444 0.004 1 842 188 91 VAL HA H 4.353 0.009 1 843 188 91 VAL HB H 1.966 0.011 1 844 188 91 VAL HG1 H 1.202 0.005 1 845 188 91 VAL HG2 H 1.046 0.007 1 846 188 91 VAL C C 175.009 0.003 1 847 188 91 VAL CA C 61.773 0.171 1 848 188 91 VAL CB C 34.992 0.008 1 849 188 91 VAL CG1 C 23.081 0.017 2 850 188 91 VAL CG2 C 21.244 0.022 2 851 188 91 VAL N N 122.572 0.027 1 852 189 92 ALA H H 8.774 0.003 1 853 189 92 ALA HA H 4.859 0.008 1 854 189 92 ALA HB H 1.392 0.008 1 855 189 92 ALA C C 176.535 0.006 1 856 189 92 ALA CA C 51.222 0.056 1 857 189 92 ALA CB C 20.428 0.038 1 858 189 92 ALA N N 126.344 0.022 1 859 190 93 ASP H H 7.688 0.007 1 860 190 93 ASP HA H 4.588 0.005 1 861 190 93 ASP HB2 H 2.684 0.020 2 862 190 93 ASP HB3 H 2.836 0.020 2 863 190 93 ASP C C 175.957 0.006 1 864 190 93 ASP CA C 54.217 0.048 1 865 190 93 ASP CB C 42.294 0.018 1 866 190 93 ASP N N 118.752 0.022 1 867 191 94 ALA H H 8.811 0.007 1 868 191 94 ALA HA H 4.058 0.002 1 869 191 94 ALA HB H 1.426 0.021 1 870 191 94 ALA C C 179.788 0.004 1 871 191 94 ALA CA C 55.681 0.054 1 872 191 94 ALA CB C 18.751 0.079 1 873 191 94 ALA N N 126.914 0.024 1 874 192 95 ALA H H 8.442 0.004 1 875 192 95 ALA HA H 4.134 0.008 1 876 192 95 ALA HB H 1.494 0.009 1 877 192 95 ALA C C 181.540 0.004 1 878 192 95 ALA CA C 55.457 0.065 1 879 192 95 ALA CB C 17.893 0.026 1 880 192 95 ALA N N 120.144 0.025 1 881 193 96 SER H H 8.110 0.006 1 882 193 96 SER HA H 4.134 0.018 1 883 193 96 SER HB2 H 3.882 0.020 2 884 193 96 SER HB3 H 3.714 0.020 2 885 193 96 SER C C 175.851 0.011 1 886 193 96 SER CA C 62.489 0.064 1 887 193 96 SER N N 117.567 0.034 1 888 194 97 MET H H 8.143 0.005 1 889 194 97 MET HA H 4.073 0.002 1 890 194 97 MET HB2 H 2.199 0.020 2 891 194 97 MET HB3 H 1.701 0.003 2 892 194 97 MET HG2 H 2.609 0.020 2 893 194 97 MET HG3 H 2.311 0.020 2 894 194 97 MET C C 178.206 0.011 1 895 194 97 MET CA C 58.579 0.040 1 896 194 97 MET CB C 31.520 0.024 1 897 194 97 MET CG C 32.596 0.020 1 898 194 97 MET N N 120.436 0.048 1 899 195 98 GLN H H 8.294 0.004 1 900 195 98 GLN HA H 4.260 0.005 1 901 195 98 GLN HB2 H 2.082 0.008 2 902 195 98 GLN HB3 H 2.198 0.020 2 903 195 98 GLN HG2 H 2.398 0.020 2 904 195 98 GLN C C 178.952 0.010 1 905 195 98 GLN CA C 58.313 0.135 1 906 195 98 GLN CB C 28.701 0.046 1 907 195 98 GLN CG C 34.148 0.020 1 908 195 98 GLN N N 119.482 0.026 1 909 196 99 ARG H H 7.908 0.005 1 910 196 99 ARG HA H 3.772 0.012 1 911 196 99 ARG HB2 H 1.764 0.025 2 912 196 99 ARG HB3 H 1.517 0.003 2 913 196 99 ARG HG2 H 0.981 0.009 2 914 196 99 ARG HG3 H 0.186 0.006 2 915 196 99 ARG HD2 H 2.744 0.001 2 916 196 99 ARG HD3 H 2.660 0.001 2 917 196 99 ARG C C 178.897 0.011 1 918 196 99 ARG CA C 59.440 0.022 1 919 196 99 ARG CB C 29.598 0.017 1 920 196 99 ARG CG C 26.032 0.020 1 921 196 99 ARG CD C 43.106 0.034 1 922 196 99 ARG N N 120.484 0.061 1 923 197 100 TYR H H 8.003 0.005 1 924 197 100 TYR HA H 3.986 0.010 1 925 197 100 TYR HB2 H 2.939 0.005 2 926 197 100 TYR HB3 H 2.610 0.024 2 927 197 100 TYR C C 179.638 0.010 1 928 197 100 TYR CA C 63.273 0.049 1 929 197 100 TYR CB C 37.858 0.038 1 930 197 100 TYR N N 113.819 0.049 1 931 198 101 SER H H 8.940 0.005 1 932 198 101 SER HA H 4.520 0.006 1 933 198 101 SER HB2 H 3.955 0.032 2 934 198 101 SER C C 176.005 0.025 1 935 198 101 SER CA C 63.001 0.121 1 936 198 101 SER CB C 62.039 0.075 1 937 198 101 SER N N 125.293 0.046 1 938 199 102 THR H H 7.899 0.004 1 939 199 102 THR HA H 3.634 0.014 1 940 199 102 THR HG2 H 1.141 0.020 1 941 199 102 THR C C 175.829 0.010 1 942 199 102 THR CA C 67.188 0.029 1 943 199 102 THR CB C 68.203 0.095 1 944 199 102 THR N N 120.880 0.047 1 945 200 103 GLU H H 7.927 0.004 1 946 200 103 GLU HA H 3.703 0.005 1 947 200 103 GLU HB2 H 1.234 0.005 2 948 200 103 GLU HB3 H 0.843 0.019 2 949 200 103 GLU C C 178.457 0.002 1 950 200 103 GLU CA C 59.532 0.058 1 951 200 103 GLU CB C 28.849 0.028 1 952 200 103 GLU CG C 34.017 0.020 1 953 200 103 GLU N N 120.155 0.036 1 954 201 104 MET H H 6.434 0.003 1 955 201 104 MET HA H 4.726 0.010 1 956 201 104 MET HB2 H 1.902 0.007 2 957 201 104 MET HG2 H 2.178 0.020 2 958 201 104 MET HE H 1.530 0.020 1 959 201 104 MET C C 177.337 0.016 1 960 201 104 MET CA C 56.677 0.025 1 961 201 104 MET CB C 32.908 0.023 1 962 201 104 MET CG C 32.936 0.020 1 963 201 104 MET N N 114.972 0.019 1 964 202 105 MET H H 7.834 0.004 1 965 202 105 MET HA H 4.120 0.006 1 966 202 105 MET HB2 H 1.779 0.023 2 967 202 105 MET HB3 H 2.397 0.020 2 968 202 105 MET C C 177.685 0.004 1 969 202 105 MET CA C 58.666 0.031 1 970 202 105 MET CB C 33.225 0.062 1 971 202 105 MET CG C 32.494 0.020 1 972 202 105 MET N N 121.002 0.029 1 973 203 106 ASN H H 8.782 0.004 1 974 203 106 ASN HA H 4.489 0.013 1 975 203 106 ASN HB2 H 2.799 0.003 2 976 203 106 ASN HB3 H 2.924 0.009 2 977 203 106 ASN C C 178.569 0.008 1 978 203 106 ASN CA C 55.400 0.018 1 979 203 106 ASN CB C 37.322 0.045 1 980 203 106 ASN N N 117.856 0.031 1 981 204 107 VAL H H 7.558 0.006 1 982 204 107 VAL HA H 3.771 0.007 1 983 204 107 VAL HB H 2.714 0.010 1 984 204 107 VAL HG1 H 1.526 0.004 1 985 204 107 VAL HG2 H 1.082 0.007 1 986 204 107 VAL C C 178.875 0.023 1 987 204 107 VAL CA C 66.679 0.074 1 988 204 107 VAL CB C 32.024 0.013 1 989 204 107 VAL CG1 C 23.039 0.017 2 990 204 107 VAL CG2 C 21.357 0.027 2 991 204 107 VAL N N 122.352 0.036 1 992 205 108 ILE H H 7.719 0.011 1 993 205 108 ILE HA H 3.648 0.006 1 994 205 108 ILE HB H 1.993 0.006 1 995 205 108 ILE HG12 H 0.921 0.003 2 996 205 108 ILE HG13 H 1.796 0.006 2 997 205 108 ILE HG2 H 0.807 0.002 1 998 205 108 ILE HD1 H 0.797 0.012 1 999 205 108 ILE C C 177.357 0.008 1 1000 205 108 ILE CA C 65.304 0.038 1 1001 205 108 ILE CB C 37.762 0.020 1 1002 205 108 ILE CG1 C 29.167 0.057 1 1003 205 108 ILE CG2 C 17.601 0.027 1 1004 205 108 ILE CD1 C 13.882 0.025 1 1005 205 108 ILE N N 120.076 0.059 1 1006 206 109 SER H H 9.106 0.006 1 1007 206 109 SER HA H 3.886 0.008 1 1008 206 109 SER HB2 H 3.952 0.001 2 1009 206 109 SER C C 177.173 0.020 1 1010 206 109 SER CA C 61.737 0.075 1 1011 206 109 SER CB C 62.904 0.023 1 1012 206 109 SER N N 114.509 0.048 1 1013 207 110 ALA H H 7.927 0.004 1 1014 207 110 ALA HA H 4.233 0.009 1 1015 207 110 ALA HB H 1.509 0.005 1 1016 207 110 ALA C C 180.475 0.026 1 1017 207 110 ALA CA C 54.729 0.085 1 1018 207 110 ALA CB C 18.163 0.030 1 1019 207 110 ALA N N 121.636 0.028 1 1020 208 111 GLY H H 7.876 0.005 1 1021 208 111 GLY HA2 H 4.063 0.006 2 1022 208 111 GLY HA3 H 3.672 0.001 2 1023 208 111 GLY C C 175.632 0.020 1 1024 208 111 GLY CA C 46.617 0.011 1 1025 208 111 GLY N N 105.330 0.045 1 1026 209 112 LEU H H 8.148 0.004 1 1027 209 112 LEU HA H 4.187 0.007 1 1028 209 112 LEU HB2 H 1.872 0.008 2 1029 209 112 LEU HB3 H 1.459 0.008 2 1030 209 112 LEU HG H 1.945 0.001 1 1031 209 112 LEU HD1 H 0.675 0.001 1 1032 209 112 LEU HD2 H 0.724 0.020 1 1033 209 112 LEU C C 178.336 0.020 1 1034 209 112 LEU CA C 56.194 0.020 1 1035 209 112 LEU CB C 41.727 0.012 1 1036 209 112 LEU CG C 26.232 0.071 1 1037 209 112 LEU CD1 C 22.423 0.065 2 1038 209 112 LEU CD2 C 25.936 0.020 2 1039 209 112 LEU N N 122.005 0.030 1 1040 210 113 ASP H H 7.959 0.004 1 1041 210 113 ASP HA H 4.524 0.006 1 1042 210 113 ASP HB2 H 2.747 0.016 2 1043 210 113 ASP C C 177.376 0.008 1 1044 210 113 ASP CA C 55.628 0.020 1 1045 210 113 ASP CB C 41.013 0.020 1 1046 210 113 ASP N N 120.247 0.030 1 1047 211 114 LYS H H 8.016 0.006 1 1048 211 114 LYS HA H 4.264 0.008 1 1049 211 114 LYS HB2 H 1.935 0.020 2 1050 211 114 LYS HB3 H 1.844 0.009 2 1051 211 114 LYS HG2 H 1.502 0.020 2 1052 211 114 LYS HD2 H 1.728 0.020 2 1053 211 114 LYS HE2 H 3.035 0.020 2 1054 211 114 LYS C C 177.422 0.016 1 1055 211 114 LYS CA C 57.487 0.020 1 1056 211 114 LYS CB C 32.556 0.054 1 1057 211 114 LYS CG C 24.673 0.020 1 1058 211 114 LYS CD C 28.826 0.020 1 1059 211 114 LYS CE C 42.255 0.020 1 1060 211 114 LYS N N 121.243 0.034 1 1061 212 115 SER H H 8.182 0.007 1 1062 212 115 SER HA H 4.353 0.010 1 1063 212 115 SER HB2 H 3.924 0.007 2 1064 212 115 SER C C 175.476 0.014 1 1065 212 115 SER CA C 59.723 0.028 1 1066 212 115 SER CB C 63.537 0.076 1 1067 212 115 SER N N 115.263 0.042 1 1068 213 116 ALA H H 8.110 0.004 1 1069 213 116 ALA HA H 4.341 0.004 1 1070 213 116 ALA HB H 1.488 0.008 1 1071 213 116 ALA C C 178.973 0.008 1 1072 213 116 ALA CA C 53.609 0.041 1 1073 213 116 ALA CB C 19.002 0.064 1 1074 213 116 ALA N N 125.141 0.037 1 1075 214 117 THR H H 8.070 0.006 1 1076 214 117 THR HA H 4.227 0.016 1 1077 214 117 THR HG2 H 1.234 0.020 1 1078 214 117 THR C C 175.190 0.018 1 1079 214 117 THR CA C 63.369 0.044 1 1080 214 117 THR CB C 69.468 0.034 1 1081 214 117 THR CG2 C 21.730 0.020 1 1082 214 117 THR N N 113.519 0.022 1 1083 215 118 ASP H H 8.338 0.004 1 1084 215 118 ASP HA H 4.545 0.003 1 1085 215 118 ASP HB2 H 2.697 0.005 2 1086 215 118 ASP C C 177.347 0.021 1 1087 215 118 ASP CA C 55.419 0.043 1 1088 215 118 ASP CB C 40.855 0.031 1 1089 215 118 ASP N N 122.820 0.018 1 1090 216 119 ALA H H 8.141 0.004 1 1091 216 119 ALA HA H 4.218 0.003 1 1092 216 119 ALA HB H 1.435 0.008 1 1093 216 119 ALA C C 178.837 0.005 1 1094 216 119 ALA CA C 53.715 0.089 1 1095 216 119 ALA CB C 18.789 0.059 1 1096 216 119 ALA N N 123.953 0.025 1 1097 217 120 ALA H H 8.126 0.004 1 1098 217 120 ALA HA H 4.232 0.008 1 1099 217 120 ALA HB H 1.437 0.008 1 1100 217 120 ALA C C 178.723 0.007 1 1101 217 120 ALA CA C 53.698 0.010 1 1102 217 120 ALA CB C 18.666 0.005 1 1103 217 120 ALA N N 121.836 0.033 1 1104 218 121 ASN H H 8.134 0.003 1 1105 218 121 ASN HA H 4.633 0.005 1 1106 218 121 ASN HB2 H 2.826 0.011 2 1107 218 121 ASN C C 175.925 0.005 1 1108 218 121 ASN CA C 53.891 0.040 1 1109 218 121 ASN CB C 38.737 0.042 1 1110 218 121 ASN N N 116.897 0.019 1 1111 219 122 ALA H H 8.026 0.004 1 1112 219 122 ALA HA H 4.250 0.007 1 1113 219 122 ALA HB H 1.439 0.007 1 1114 219 122 ALA C C 178.350 0.002 1 1115 219 122 ALA CA C 53.543 0.049 1 1116 219 122 ALA CB C 18.891 0.015 1 1117 219 122 ALA N N 123.635 0.017 1 1118 220 123 ALA H H 8.079 0.004 1 1119 220 123 ALA HA H 4.236 0.010 1 1120 220 123 ALA HB H 1.435 0.006 1 1121 220 123 ALA C C 178.476 0.020 1 1122 220 123 ALA CA C 53.343 0.042 1 1123 220 123 ALA CB C 18.831 0.035 1 1124 220 123 ALA N N 121.592 0.016 1 1125 221 124 GLN H H 8.078 0.004 1 1126 221 124 GLN HA H 4.261 0.004 1 1127 221 124 GLN HB2 H 2.120 0.008 2 1128 221 124 GLN HB3 H 2.030 0.002 2 1129 221 124 GLN HG2 H 2.406 0.020 2 1130 221 124 GLN C C 176.228 0.023 1 1131 221 124 GLN CA C 56.451 0.024 1 1132 221 124 GLN CB C 29.152 0.028 1 1133 221 124 GLN CG C 33.858 0.020 1 1134 221 124 GLN N N 117.995 0.021 1 1135 222 125 ASN H H 8.235 0.003 1 1136 222 125 ASN HA H 4.693 0.006 1 1137 222 125 ASN HB2 H 2.873 0.020 2 1138 222 125 ASN HB3 H 2.781 0.020 2 1139 222 125 ASN C C 175.442 0.017 1 1140 222 125 ASN CA C 53.628 0.075 1 1141 222 125 ASN CB C 38.801 0.017 1 1142 222 125 ASN N N 118.899 0.029 1 1143 223 126 ARG H H 8.162 0.020 1 1144 223 126 ARG HA H 4.333 0.007 1 1145 223 126 ARG HB2 H 1.790 0.012 2 1146 223 126 ARG HB3 H 1.885 0.014 2 1147 223 126 ARG HG2 H 1.675 0.020 2 1148 223 126 ARG HD2 H 3.216 0.020 1 1149 223 126 ARG C C 176.209 0.009 1 1150 223 126 ARG CA C 56.452 0.040 1 1151 223 126 ARG CB C 30.775 0.020 1 1152 223 126 ARG CG C 27.200 0.020 1 1153 223 126 ARG CD C 43.445 0.020 1 1154 223 126 ARG N N 121.244 0.139 1 1155 224 127 ALA H H 8.257 0.003 1 1156 224 127 ALA HA H 4.368 0.012 1 1157 224 127 ALA HB H 1.430 0.004 1 1158 224 127 ALA C C 177.855 0.005 1 1159 224 127 ALA CA C 52.710 0.018 1 1160 224 127 ALA CB C 19.266 0.033 1 1161 224 127 ALA N N 124.514 0.028 1 1162 225 128 SER H H 8.255 0.004 1 1163 225 128 SER HA H 4.521 0.007 1 1164 225 128 SER HB2 H 3.925 0.007 2 1165 225 128 SER C C 174.910 0.009 1 1166 225 128 SER CA C 58.459 0.059 1 1167 225 128 SER CB C 63.913 0.053 1 1168 225 128 SER N N 114.761 0.025 1 1169 226 129 THR H H 8.189 0.009 1 1170 226 129 THR HA H 4.479 0.008 1 1171 226 129 THR HB H 4.338 0.007 1 1172 226 129 THR HG2 H 1.238 0.020 1 1173 226 129 THR C C 174.609 0.021 1 1174 226 129 THR CA C 61.744 0.047 1 1175 226 129 THR CB C 69.663 0.050 1 1176 226 129 THR CG2 C 21.774 0.020 1 1177 226 129 THR N N 115.542 0.075 1 1178 227 130 THR H H 8.060 0.008 1 1179 227 130 THR HA H 4.344 0.002 1 1180 227 130 THR HB H 4.183 0.020 1 1181 227 130 THR HG2 H 1.224 0.020 1 1182 227 130 THR C C 174.379 0.020 1 1183 227 130 THR CA C 62.086 0.035 1 1184 227 130 THR CB C 69.869 0.028 1 1185 227 130 THR CG2 C 21.929 0.020 1 1186 227 130 THR N N 116.815 0.030 1 1187 228 131 MET H H 8.166 0.004 1 1188 228 131 MET HA H 4.368 0.012 1 1189 228 131 MET HB2 H 1.592 0.009 2 1190 228 131 MET HB3 H 1.708 0.018 2 1191 228 131 MET HG2 H 2.235 0.020 2 1192 228 131 MET C C 174.118 0.003 1 1193 228 131 MET CA C 54.977 0.078 1 1194 228 131 MET CB C 33.409 0.075 1 1195 228 131 MET CG C 32.105 0.020 1 1196 228 131 MET N N 121.746 0.064 1 1197 229 132 ASP H H 8.020 0.011 1 1198 229 132 ASP HA H 4.787 0.008 1 1199 229 132 ASP HB2 H 2.539 0.006 2 1200 229 132 ASP HB3 H 2.643 0.006 2 1201 229 132 ASP C C 175.141 0.012 1 1202 229 132 ASP CA C 54.627 0.069 1 1203 229 132 ASP CB C 42.485 0.024 1 1204 229 132 ASP N N 121.341 0.068 1 1205 230 133 VAL H H 8.293 0.007 1 1206 230 133 VAL HA H 5.074 0.008 1 1207 230 133 VAL HB H 2.035 0.011 1 1208 230 133 VAL HG1 H 1.076 0.005 1 1209 230 133 VAL HG2 H 1.082 0.002 1 1210 230 133 VAL C C 174.256 0.008 1 1211 230 133 VAL CA C 60.871 0.049 1 1212 230 133 VAL CB C 34.688 0.075 1 1213 230 133 VAL CG1 C 21.840 0.020 2 1214 230 133 VAL CG2 C 23.215 0.015 2 1215 230 133 VAL N N 121.534 0.028 1 1216 231 134 GLN H H 8.930 0.004 1 1217 231 134 GLN HA H 4.846 0.001 1 1218 231 134 GLN HB2 H 1.949 0.034 2 1219 231 134 GLN HB3 H 2.200 0.009 2 1220 231 134 GLN HG2 H 2.405 0.020 2 1221 231 134 GLN C C 174.405 0.013 1 1222 231 134 GLN CA C 53.920 0.028 1 1223 231 134 GLN CB C 33.708 0.044 1 1224 231 134 GLN CG C 33.784 0.020 1 1225 231 134 GLN N N 122.539 0.011 1 1226 232 135 SER H H 8.872 0.003 1 1227 232 135 SER HA H 4.780 0.004 1 1228 232 135 SER HB2 H 3.836 0.006 2 1229 232 135 SER C C 173.975 0.010 1 1230 232 135 SER CA C 57.642 0.065 1 1231 232 135 SER CB C 63.922 0.030 1 1232 232 135 SER N N 116.356 0.024 1 1233 233 136 ALA H H 8.708 0.005 1 1234 233 136 ALA HA H 4.634 0.013 1 1235 233 136 ALA HB H 1.292 0.010 1 1236 233 136 ALA C C 174.804 0.004 1 1237 233 136 ALA CA C 51.511 0.061 1 1238 233 136 ALA CB C 23.203 0.012 1 1239 233 136 ALA N N 127.509 0.020 1 1240 234 137 ALA H H 8.059 0.005 1 1241 234 137 ALA HA H 5.130 0.007 1 1242 234 137 ALA HB H 1.206 0.006 1 1243 234 137 ALA C C 176.891 0.011 1 1244 234 137 ALA CA C 50.694 0.048 1 1245 234 137 ALA CB C 21.630 0.012 1 1246 234 137 ALA N N 122.300 0.019 1 1247 235 138 ASP H H 9.082 0.004 1 1248 235 138 ASP HA H 4.557 0.010 1 1249 235 138 ASP HB2 H 3.364 0.006 2 1250 235 138 ASP HB3 H 2.865 0.008 2 1251 235 138 ASP C C 178.008 0.007 1 1252 235 138 ASP CA C 52.748 0.006 1 1253 235 138 ASP CB C 41.433 0.019 1 1254 235 138 ASP N N 121.815 0.031 1 1255 236 139 ASP H H 8.447 0.006 1 1256 236 139 ASP HA H 4.412 0.009 1 1257 236 139 ASP HB2 H 2.722 0.013 2 1258 236 139 ASP C C 177.505 0.009 1 1259 236 139 ASP CA C 57.009 0.027 1 1260 236 139 ASP CB C 40.392 0.016 1 1261 236 139 ASP N N 116.810 0.022 1 1262 237 140 THR H H 8.566 0.003 1 1263 237 140 THR HA H 4.540 0.011 1 1264 237 140 THR HB H 4.409 0.037 1 1265 237 140 THR HG2 H 1.183 0.001 1 1266 237 140 THR C C 174.691 0.008 1 1267 237 140 THR CA C 61.220 0.045 1 1268 237 140 THR CB C 69.404 0.017 1 1269 237 140 THR CG2 C 22.030 0.020 1 1270 237 140 THR N N 110.717 0.022 1 1271 238 141 GLY H H 8.217 0.073 1 1272 238 141 GLY HA2 H 4.327 0.020 2 1273 238 141 GLY HA3 H 3.590 0.003 2 1274 238 141 GLY C C 174.548 0.065 1 1275 238 141 GLY CA C 45.199 0.013 1 1276 238 141 GLY N N 110.176 0.022 1 1277 239 142 LEU H H 8.408 0.004 1 1278 239 142 LEU HA H 4.732 0.002 1 1279 239 142 LEU HB2 H 2.015 0.005 2 1280 239 142 LEU HB3 H 1.313 0.008 2 1281 239 142 LEU HG H 1.666 0.020 1 1282 239 142 LEU HD1 H 0.887 0.009 1 1283 239 142 LEU HD2 H 0.993 0.011 1 1284 239 142 LEU CA C 52.742 0.020 1 1285 239 142 LEU CB C 40.322 0.047 1 1286 239 142 LEU N N 125.145 0.032 1 1287 240 143 PRO HA H 4.794 0.009 1 1288 240 143 PRO HB2 H 1.728 0.012 2 1289 240 143 PRO HB3 H 2.399 0.019 2 1290 240 143 PRO HG2 H 2.088 0.020 2 1291 240 143 PRO HG3 H 1.948 0.020 2 1292 240 143 PRO HD2 H 4.075 0.020 2 1293 240 143 PRO HD3 H 3.634 0.020 2 1294 240 143 PRO C C 176.548 0.003 1 1295 240 143 PRO CA C 63.354 0.061 1 1296 240 143 PRO CB C 32.742 0.073 1 1297 240 143 PRO CG C 27.212 0.020 1 1298 240 143 PRO CD C 51.017 0.020 1 1299 241 144 MET H H 8.607 0.004 1 1300 241 144 MET HA H 4.972 0.008 1 1301 241 144 MET HB2 H 2.101 0.009 2 1302 241 144 MET HB3 H 1.986 0.002 2 1303 241 144 MET HG2 H 2.191 0.020 2 1304 241 144 MET C C 173.925 0.017 1 1305 241 144 MET CA C 55.570 0.072 1 1306 241 144 MET CB C 35.670 0.048 1 1307 241 144 MET CG C 31.024 0.020 1 1308 241 144 MET N N 119.163 0.026 1 1309 242 145 LEU H H 9.222 0.003 1 1310 242 145 LEU HA H 5.240 0.017 1 1311 242 145 LEU HB2 H 1.760 0.020 2 1312 242 145 LEU HB3 H 1.165 0.016 2 1313 242 145 LEU HG H 1.856 0.002 1 1314 242 145 LEU HD1 H 0.736 0.020 1 1315 242 145 LEU HD2 H 0.780 0.001 1 1316 242 145 LEU C C 176.502 0.008 1 1317 242 145 LEU CA C 53.587 0.007 1 1318 242 145 LEU CB C 44.785 0.035 1 1319 242 145 LEU CG C 27.048 0.011 1 1320 242 145 LEU CD1 C 26.285 0.020 2 1321 242 145 LEU CD2 C 25.497 0.032 2 1322 242 145 LEU N N 120.982 0.025 1 1323 243 146 VAL H H 9.241 0.005 1 1324 243 146 VAL HA H 4.794 0.006 1 1325 243 146 VAL HB H 1.723 0.011 1 1326 243 146 VAL HG1 H 0.761 0.003 1 1327 243 146 VAL HG2 H 0.761 0.004 1 1328 243 146 VAL C C 174.683 0.005 1 1329 243 146 VAL CA C 61.215 0.052 1 1330 243 146 VAL CB C 34.522 0.039 1 1331 243 146 VAL CG1 C 22.124 0.020 2 1332 243 146 VAL CG2 C 22.124 0.020 2 1333 243 146 VAL N N 119.886 0.019 1 1334 244 147 VAL H H 9.354 0.005 1 1335 244 147 VAL HA H 4.782 0.005 1 1336 244 147 VAL HB H 1.724 0.005 1 1337 244 147 VAL HG1 H 0.439 0.004 1 1338 244 147 VAL HG2 H 0.732 0.008 1 1339 244 147 VAL C C 176.648 0.009 1 1340 244 147 VAL CA C 59.856 0.075 1 1341 244 147 VAL CB C 34.093 0.010 1 1342 244 147 VAL CG1 C 22.037 0.062 2 1343 244 147 VAL CG2 C 21.376 0.032 2 1344 244 147 VAL N N 127.044 0.024 1 1345 245 148 ARG H H 8.862 0.008 1 1346 245 148 ARG HA H 4.310 0.011 1 1347 245 148 ARG HB2 H 2.153 0.013 2 1348 245 148 ARG HB3 H 1.811 3.326 2 1349 245 148 ARG HG2 H 1.587 0.003 2 1350 245 148 ARG HG3 H 1.903 0.020 2 1351 245 148 ARG HD2 H 3.226 0.004 1 1352 245 148 ARG C C 174.122 0.005 1 1353 245 148 ARG CA C 56.319 0.027 1 1354 245 148 ARG CB C 28.329 0.116 1 1355 245 148 ARG CD C 43.181 0.020 1 1356 245 148 ARG N N 129.566 0.017 1 1357 246 149 GLY H H 8.353 0.004 1 1358 246 149 GLY HA2 H 4.290 0.020 2 1359 246 149 GLY HA3 H 3.553 0.020 2 1360 246 149 GLY C C 169.103 0.020 1 1361 246 149 GLY CA C 44.704 0.020 1 1362 246 149 GLY N N 113.385 0.020 1 1363 247 150 PRO HA H 4.365 0.015 1 1364 247 150 PRO HB2 H 2.155 0.009 2 1365 247 150 PRO HB3 H 2.477 0.004 2 1366 247 150 PRO HG2 H 2.055 0.020 2 1367 247 150 PRO HD2 H 3.699 0.020 2 1368 247 150 PRO HD3 H 3.380 0.020 2 1369 247 150 PRO C C 176.627 0.015 1 1370 247 150 PRO CA C 61.985 0.038 1 1371 247 150 PRO CB C 32.602 0.012 1 1372 247 150 PRO CG C 27.508 0.020 1 1373 247 150 PRO CD C 49.820 0.020 1 1374 248 151 PHE H H 9.221 0.003 1 1375 248 151 PHE HA H 4.205 0.005 1 1376 248 151 PHE HB2 H 2.981 0.007 2 1377 248 151 PHE C C 176.411 0.006 1 1378 248 151 PHE CA C 62.266 0.040 1 1379 248 151 PHE CB C 39.964 0.049 1 1380 248 151 PHE N N 125.189 0.020 1 1381 249 152 ASN H H 9.205 0.005 1 1382 249 152 ASN HA H 4.221 0.004 1 1383 249 152 ASN HB2 H 2.832 0.005 2 1384 249 152 ASN C C 177.831 0.007 1 1385 249 152 ASN CA C 56.781 0.025 1 1386 249 152 ASN CB C 37.724 0.014 1 1387 249 152 ASN N N 114.069 0.020 1 1388 250 153 VAL H H 7.049 0.017 1 1389 250 153 VAL HA H 3.801 0.004 1 1390 250 153 VAL HB H 1.905 0.018 1 1391 250 153 VAL HG1 H 1.007 0.004 1 1392 250 153 VAL HG2 H 0.895 0.017 1 1393 250 153 VAL C C 177.310 0.002 1 1394 250 153 VAL CA C 65.159 0.041 1 1395 250 153 VAL CB C 32.727 0.056 1 1396 250 153 VAL CG1 C 22.177 0.021 2 1397 250 153 VAL CG2 C 20.897 0.020 2 1398 250 153 VAL N N 119.115 0.022 1 1399 251 154 VAL H H 8.148 0.005 1 1400 251 154 VAL HA H 3.069 0.004 1 1401 251 154 VAL HB H 1.846 0.002 1 1402 251 154 VAL HG1 H 0.547 0.003 1 1403 251 154 VAL HG2 H 0.665 0.007 1 1404 251 154 VAL C C 177.109 0.001 1 1405 251 154 VAL CA C 68.011 0.016 1 1406 251 154 VAL CB C 31.574 0.047 1 1407 251 154 VAL CG1 C 23.898 0.022 2 1408 251 154 VAL CG2 C 20.489 0.029 2 1409 251 154 VAL N N 121.470 0.026 1 1410 252 155 TRP H H 9.220 0.006 1 1411 252 155 TRP HA H 3.681 0.005 1 1412 252 155 TRP HB2 H 2.751 0.020 2 1413 252 155 TRP HB3 H 2.367 0.004 2 1414 252 155 TRP HE1 H 10.214 0.004 1 1415 252 155 TRP C C 177.968 0.005 1 1416 252 155 TRP CA C 61.201 0.048 1 1417 252 155 TRP CB C 28.791 0.024 1 1418 252 155 TRP N N 117.685 0.026 1 1419 252 155 TRP NE1 N 128.894 0.007 1 1420 253 156 GLN H H 6.957 0.003 1 1421 253 156 GLN HA H 4.027 0.007 1 1422 253 156 GLN HB2 H 2.290 0.004 2 1423 253 156 GLN HG2 H 2.582 0.020 2 1424 253 156 GLN C C 178.183 0.007 1 1425 253 156 GLN CA C 58.340 0.023 1 1426 253 156 GLN CB C 29.029 0.068 1 1427 253 156 GLN CG C 34.226 0.020 1 1428 253 156 GLN N N 113.779 0.025 1 1429 254 157 ARG H H 7.954 0.004 1 1430 254 157 ARG HA H 4.253 0.010 1 1431 254 157 ARG HB2 H 2.067 0.013 2 1432 254 157 ARG HB3 H 1.853 0.016 2 1433 254 157 ARG HD2 H 3.194 0.020 1 1434 254 157 ARG C C 177.675 0.014 1 1435 254 157 ARG CA C 56.692 0.074 1 1436 254 157 ARG CB C 31.166 0.035 1 1437 254 157 ARG CG C 27.544 0.020 1 1438 254 157 ARG CD C 42.759 0.020 1 1439 254 157 ARG N N 117.006 0.031 1 1440 255 158 LEU H H 7.909 0.009 1 1441 255 158 LEU HA H 3.999 0.002 1 1442 255 158 LEU HB2 H 1.841 0.012 2 1443 255 158 LEU HB3 H 0.908 0.001 2 1444 255 158 LEU C C 174.641 0.020 1 1445 255 158 LEU CA C 59.977 0.020 1 1446 255 158 LEU CB C 40.691 0.018 1 1447 255 158 LEU N N 121.277 0.036 1 1448 256 159 PRO HA H 3.931 0.006 1 1449 256 159 PRO HB2 H 1.857 0.004 2 1450 256 159 PRO HB3 H 2.218 0.011 2 1451 256 159 PRO HD2 H 3.438 0.020 2 1452 256 159 PRO HD3 H 3.438 0.020 2 1453 256 159 PRO C C 178.430 0.006 1 1454 256 159 PRO CA C 67.821 0.050 1 1455 256 159 PRO CB C 30.664 0.072 1 1456 256 159 PRO CG C 29.182 0.020 1 1457 256 159 PRO CD C 49.518 0.020 1 1458 257 160 ALA H H 8.038 0.005 1 1459 257 160 ALA HA H 4.187 0.005 1 1460 257 160 ALA HB H 1.428 0.004 1 1461 257 160 ALA C C 180.029 0.005 1 1462 257 160 ALA CA C 54.587 0.029 1 1463 257 160 ALA CB C 18.730 0.030 1 1464 257 160 ALA N N 117.838 0.028 1 1465 258 161 ALA H H 7.424 0.004 1 1466 258 161 ALA HA H 3.854 0.004 1 1467 258 161 ALA HB H 0.855 0.009 1 1468 258 161 ALA C C 178.758 0.003 1 1469 258 161 ALA CA C 55.180 0.030 1 1470 258 161 ALA CB C 18.416 0.029 1 1471 258 161 ALA N N 121.393 0.024 1 1472 259 162 LEU H H 8.902 0.004 1 1473 259 162 LEU HA H 3.831 0.007 1 1474 259 162 LEU HB2 H 1.682 0.031 2 1475 259 162 LEU HB3 H 1.724 0.011 2 1476 259 162 LEU HD2 H 0.549 0.020 1 1477 259 162 LEU C C 179.466 0.028 1 1478 259 162 LEU CA C 57.366 0.057 1 1479 259 162 LEU CB C 39.831 0.014 1 1480 259 162 LEU CG C 27.542 0.020 1 1481 259 162 LEU CD1 C 24.387 0.020 2 1482 259 162 LEU N N 116.127 0.019 1 1483 260 163 GLU H H 7.652 0.003 1 1484 260 163 GLU HA H 3.943 0.019 1 1485 260 163 GLU HB2 H 2.172 0.023 2 1486 260 163 GLU HB3 H 2.043 0.017 2 1487 260 163 GLU HG2 H 2.358 0.020 2 1488 260 163 GLU C C 179.807 0.004 1 1489 260 163 GLU CA C 59.402 0.037 1 1490 260 163 GLU CB C 29.366 0.041 1 1491 260 163 GLU CG C 36.512 0.020 1 1492 260 163 GLU N N 118.337 0.018 1 1493 261 164 LYS H H 7.287 0.004 1 1494 261 164 LYS HA H 3.986 0.006 1 1495 261 164 LYS HB2 H 1.826 0.006 2 1496 261 164 LYS HB3 H 2.011 0.014 2 1497 261 164 LYS HG2 H 1.590 0.020 2 1498 261 164 LYS HD2 H 1.755 0.020 2 1499 261 164 LYS HE2 H 2.962 0.020 2 1500 261 164 LYS C C 176.308 0.003 1 1501 261 164 LYS CA C 58.037 0.040 1 1502 261 164 LYS CB C 32.604 0.030 1 1503 261 164 LYS CG C 25.234 0.020 1 1504 261 164 LYS CD C 29.162 0.020 1 1505 261 164 LYS CE C 42.331 0.020 1 1506 261 164 LYS N N 117.168 0.025 1 1507 262 165 VAL H H 7.227 0.005 1 1508 262 165 VAL HA H 4.229 0.004 1 1509 262 165 VAL HB H 2.304 0.004 1 1510 262 165 VAL HG1 H 0.586 0.020 1 1511 262 165 VAL HG2 H 0.629 0.001 1 1512 262 165 VAL C C 173.3 0.020 1 1513 262 165 VAL CA C 59.317 0.027 1 1514 262 165 VAL CB C 31.212 0.011 1 1515 262 165 VAL CG1 C 22.740 0.006 2 1516 262 165 VAL CG2 C 19.217 0.030 2 1517 262 165 VAL N N 109.464 0.025 1 1518 263 166 GLY H H 7.018 0.004 1 1519 263 166 GLY HA2 H 4.423 0.007 2 1520 263 166 GLY HA3 H 3.501 0.008 2 1521 263 166 GLY C C 175.074 0.009 1 1522 263 166 GLY CA C 45.299 0.061 1 1523 263 166 GLY N N 102.002 0.013 1 1524 264 167 MET H H 8.163 0.004 1 1525 264 167 MET HA H 5.066 0.006 1 1526 264 167 MET HB2 H 2.005 0.005 2 1527 264 167 MET HB3 H 1.418 0.007 2 1528 264 167 MET HG2 H 2.710 0.020 2 1529 264 167 MET HE H 2.203 0.020 1 1530 264 167 MET C C 173.479 0.008 1 1531 264 167 MET CA C 55.335 0.062 1 1532 264 167 MET CB C 34.299 0.042 1 1533 264 167 MET CG C 35.682 0.020 1 1534 264 167 MET N N 120.427 0.031 1 1535 265 168 LYS H H 8.445 0.004 1 1536 265 168 LYS HA H 4.389 0.003 1 1537 265 168 LYS HB2 H 1.752 0.014 2 1538 265 168 LYS HG2 H 1.336 0.020 2 1539 265 168 LYS HD2 H 1.566 0.020 2 1540 265 168 LYS HE2 H 2.944 0.020 2 1541 265 168 LYS C C 176.057 0.008 1 1542 265 168 LYS CA C 54.604 0.030 1 1543 265 168 LYS CB C 34.348 0.037 1 1544 265 168 LYS CG C 24.661 0.020 1 1545 265 168 LYS CD C 28.961 0.020 1 1546 265 168 LYS CE C 42.081 0.020 1 1547 265 168 LYS N N 123.242 0.030 1 1548 266 169 VAL H H 8.333 0.005 1 1549 266 169 VAL HA H 4.457 0.002 1 1550 266 169 VAL HB H 2.002 0.014 1 1551 266 169 VAL HG1 H 0.905 0.009 1 1552 266 169 VAL HG2 H 0.922 0.004 1 1553 266 169 VAL C C 177.409 0.004 1 1554 266 169 VAL CA C 62.931 0.065 1 1555 266 169 VAL CB C 32.345 0.016 1 1556 266 169 VAL CG1 C 23.582 0.002 2 1557 266 169 VAL CG2 C 21.657 0.020 2 1558 266 169 VAL N N 126.036 0.021 1 1559 267 170 THR H H 9.306 0.004 1 1560 267 170 THR HA H 4.430 0.009 1 1561 267 170 THR HB H 4.318 0.010 1 1562 267 170 THR HG2 H 1.177 0.020 1 1563 267 170 THR C C 174.661 0.017 1 1564 267 170 THR CA C 62.303 0.063 1 1565 267 170 THR CB C 69.097 0.042 1 1566 267 170 THR CG2 C 21.232 0.020 1 1567 267 170 THR N N 121.022 0.026 1 1568 268 171 ASP H H 7.780 0.004 1 1569 268 171 ASP HA H 4.850 0.004 1 1570 268 171 ASP HB2 H 2.878 0.009 2 1571 268 171 ASP HB3 H 2.444 0.012 2 1572 268 171 ASP C C 174.191 0.005 1 1573 268 171 ASP CA C 54.321 0.023 1 1574 268 171 ASP CB C 43.848 0.007 1 1575 268 171 ASP N N 120.149 0.033 1 1576 269 172 SER H H 8.392 0.005 1 1577 269 172 SER HA H 5.242 0.004 1 1578 269 172 SER HB2 H 4.027 0.010 2 1579 269 172 SER HB3 H 4.113 0.006 2 1580 269 172 SER C C 173.458 0.005 1 1581 269 172 SER CA C 58.322 0.027 1 1582 269 172 SER CB C 65.936 0.046 1 1583 269 172 SER N N 115.107 0.014 1 1584 270 173 THR H H 9.169 0.005 1 1585 270 173 THR HA H 4.752 0.020 1 1586 270 173 THR HB H 4.168 0.020 1 1587 270 173 THR C C 175.180 0.002 1 1588 270 173 THR CA C 60.798 0.031 1 1589 270 173 THR CB C 70.183 0.006 1 1590 270 173 THR N N 117.819 0.021 1 1591 271 174 ARG H H 9.306 0.003 1 1592 271 174 ARG HA H 2.962 0.006 1 1593 271 174 ARG HB2 H 1.649 0.005 2 1594 271 174 ARG HB3 H 1.189 0.013 2 1595 271 174 ARG HG2 H 0.098 0.006 2 1596 271 174 ARG HD2 H 2.797 0.020 1 1597 271 174 ARG C C 178.792 0.016 1 1598 271 174 ARG CA C 60.104 0.052 1 1599 271 174 ARG CB C 29.880 0.045 1 1600 271 174 ARG CG C 26.676 0.084 1 1601 271 174 ARG CD C 43.064 0.020 1 1602 271 174 ARG N N 132.424 0.013 1 1603 272 175 SER H H 8.796 0.005 1 1604 272 175 SER HA H 3.986 0.003 1 1605 272 175 SER HB2 H 3.878 0.021 2 1606 272 175 SER C C 174.958 0.002 1 1607 272 175 SER CA C 60.859 0.051 1 1608 272 175 SER CB C 62.094 0.054 1 1609 272 175 SER N N 113.329 0.034 1 1610 273 176 GLN H H 6.807 0.005 1 1611 273 176 GLN HA H 4.519 0.007 1 1612 273 176 GLN HB2 H 2.394 0.019 2 1613 273 176 GLN HB3 H 1.720 0.007 2 1614 273 176 GLN HG2 H 2.379 0.020 2 1615 273 176 GLN C C 175.812 0.006 1 1616 273 176 GLN CA C 54.826 0.024 1 1617 273 176 GLN CB C 30.776 0.029 1 1618 273 176 GLN CG C 34.007 0.020 1 1619 273 176 GLN N N 116.554 0.023 1 1620 274 177 GLY H H 7.861 0.005 1 1621 274 177 GLY HA2 H 4.403 0.002 2 1622 274 177 GLY HA3 H 3.666 0.005 2 1623 274 177 GLY C C 172.654 0.007 1 1624 274 177 GLY CA C 46.792 0.015 1 1625 274 177 GLY N N 109.054 0.021 1 1626 275 178 ASN H H 7.584 0.004 1 1627 275 178 ASN HA H 5.908 0.005 1 1628 275 178 ASN HB2 H 2.688 0.009 2 1629 275 178 ASN C C 174.314 0.008 1 1630 275 178 ASN CA C 52.560 0.053 1 1631 275 178 ASN CB C 43.064 0.008 1 1632 275 178 ASN N N 115.042 0.027 1 1633 276 179 MET H H 9.275 0.003 1 1634 276 179 MET HA H 4.965 0.005 1 1635 276 179 MET HB2 H 1.865 0.014 2 1636 276 179 MET HB3 H 1.671 0.009 2 1637 276 179 MET HG2 H 2.311 0.020 2 1638 276 179 MET C C 173.209 0.004 1 1639 276 179 MET CA C 55.528 0.092 1 1640 276 179 MET CB C 36.896 0.015 1 1641 276 179 MET CG C 33.445 0.020 1 1642 276 179 MET N N 120.517 0.031 1 1643 277 180 ALA H H 8.699 0.005 1 1644 277 180 ALA HA H 4.975 0.005 1 1645 277 180 ALA HB H 1.438 0.008 1 1646 277 180 ALA C C 176.257 0.004 1 1647 277 180 ALA CA C 51.555 0.038 1 1648 277 180 ALA CB C 20.617 0.021 1 1649 277 180 ALA N N 127.483 0.024 1 1650 278 181 VAL H H 8.551 0.004 1 1651 278 181 VAL HA H 5.613 0.017 1 1652 278 181 VAL HB H 1.855 0.007 1 1653 278 181 VAL HG1 H 0.855 0.009 1 1654 278 181 VAL HG2 H 0.962 0.020 1 1655 278 181 VAL C C 175.277 0.006 1 1656 278 181 VAL CA C 58.313 0.037 1 1657 278 181 VAL CB C 36.282 0.035 1 1658 278 181 VAL CG1 C 22.228 0.034 2 1659 278 181 VAL CG2 C 20.264 0.031 2 1660 278 181 VAL N N 116.129 0.026 1 1661 279 182 THR H H 9.079 0.006 1 1662 279 182 THR HA H 5.194 0.005 1 1663 279 182 THR HB H 3.807 0.007 1 1664 279 182 THR HG2 H 1.248 0.008 1 1665 279 182 THR C C 173.793 0.009 1 1666 279 182 THR CA C 62.264 0.037 1 1667 279 182 THR CB C 71.480 0.032 1 1668 279 182 THR CG2 C 21.905 0.060 1 1669 279 182 THR N N 120.995 0.026 1 1670 280 183 TYR H H 9.794 0.005 1 1671 280 183 TYR HA H 5.508 0.006 1 1672 280 183 TYR HB2 H 2.751 0.010 2 1673 280 183 TYR HB3 H 3.227 0.012 2 1674 280 183 TYR C C 174.599 0.005 1 1675 280 183 TYR CA C 55.650 0.041 1 1676 280 183 TYR CB C 41.675 0.031 1 1677 280 183 TYR N N 129.611 0.019 1 1678 281 184 LYS H H 8.262 0.004 1 1679 281 184 LYS HA H 4.398 0.020 1 1680 281 184 LYS HB2 H 1.638 0.020 2 1681 281 184 LYS C C 171.763 0.020 1 1682 281 184 LYS CA C 52.977 0.020 1 1683 281 184 LYS CB C 34.530 0.020 1 1684 281 184 LYS N N 133.081 0.025 1 1685 282 185 PRO HA H 4.141 0.010 1 1686 282 185 PRO HB2 H 2.666 0.020 2 1687 282 185 PRO HB3 H 2.928 0.020 2 1688 282 185 PRO HG2 H 2.023 0.020 2 1689 282 185 PRO HD2 H 3.538 0.020 2 1690 282 185 PRO HD3 H 3.538 0.020 2 1691 282 185 PRO C C 176.726 0.010 1 1692 282 185 PRO CA C 63.009 0.036 1 1693 282 185 PRO CB C 32.724 0.012 1 1694 282 185 PRO CG C 26.998 0.020 1 1695 282 185 PRO CD C 50.622 0.020 1 1696 283 186 LEU H H 5.929 0.006 1 1697 283 186 LEU HA H 4.013 0.005 1 1698 283 186 LEU HB2 H 0.995 0.005 2 1699 283 186 LEU HB3 H -0.490 0.005 2 1700 283 186 LEU HG H 0.679 0.011 1 1701 283 186 LEU HD1 H -0.011 0.008 1 1702 283 186 LEU HD2 H 0.305 0.009 1 1703 283 186 LEU C C 176.333 0.006 1 1704 283 186 LEU CA C 53.992 0.047 1 1705 283 186 LEU CB C 40.737 0.016 1 1706 283 186 LEU CG C 26.993 0.200 1 1707 283 186 LEU CD1 C 24.218 0.044 2 1708 283 186 LEU CD2 C 21.860 0.037 2 1709 283 186 LEU N N 119.309 0.013 1 1710 284 187 SER H H 8.568 0.003 1 1711 284 187 SER HA H 4.495 0.008 1 1712 284 187 SER HB2 H 3.993 0.001 2 1713 284 187 SER HB3 H 4.224 0.019 2 1714 284 187 SER C C 174.659 0.006 1 1715 284 187 SER CA C 57.513 0.043 1 1716 284 187 SER CB C 64.775 0.024 1 1717 284 187 SER N N 115.130 0.025 1 1718 285 188 ASP H H 8.933 0.004 1 1719 285 188 ASP HA H 4.684 0.014 1 1720 285 188 ASP HB2 H 2.794 0.007 2 1721 285 188 ASP C C 179.244 0.008 1 1722 285 188 ASP CA C 58.673 0.021 1 1723 285 188 ASP CB C 40.623 0.026 1 1724 285 188 ASP N N 121.191 0.040 1 1725 286 189 SER H H 8.511 0.004 1 1726 286 189 SER HA H 4.203 0.008 1 1727 286 189 SER HB2 H 3.852 0.002 2 1728 286 189 SER C C 176.699 0.005 1 1729 286 189 SER CA C 61.474 0.059 1 1730 286 189 SER CB C 62.357 0.084 1 1731 286 189 SER N N 113.906 0.022 1 1732 287 190 ASP H H 7.697 0.006 1 1733 287 190 ASP HA H 4.489 0.004 1 1734 287 190 ASP HB2 H 2.702 0.009 2 1735 287 190 ASP HB3 H 2.349 0.005 2 1736 287 190 ASP C C 180.222 0.004 1 1737 287 190 ASP CA C 57.277 0.031 1 1738 287 190 ASP CB C 40.495 0.037 1 1739 287 190 ASP N N 124.330 0.032 1 1740 288 191 TRP H H 8.506 0.005 1 1741 288 191 TRP HA H 4.578 0.008 1 1742 288 191 TRP HB2 H 3.694 0.012 2 1743 288 191 TRP HB3 H 3.293 0.015 2 1744 288 191 TRP HE1 H 9.190 0.002 1 1745 288 191 TRP C C 179.006 0.013 1 1746 288 191 TRP CA C 60.764 0.027 1 1747 288 191 TRP CB C 29.160 0.064 1 1748 288 191 TRP N N 123.206 0.028 1 1749 288 191 TRP NE1 N 128.094 0.017 1 1750 289 192 GLN H H 7.939 0.005 1 1751 289 192 GLN HA H 4.150 0.003 1 1752 289 192 GLN HB2 H 2.233 0.014 2 1753 289 192 GLN HG2 H 2.525 0.020 2 1754 289 192 GLN C C 179.383 0.005 1 1755 289 192 GLN CA C 59.089 0.036 1 1756 289 192 GLN CB C 28.135 0.051 1 1757 289 192 GLN CG C 34.089 0.020 1 1758 289 192 GLN N N 118.148 0.031 1 1759 290 193 GLU H H 7.894 0.004 1 1760 290 193 GLU HA H 4.033 0.006 1 1761 290 193 GLU HB2 H 2.093 0.008 2 1762 290 193 GLU HG2 H 2.376 0.020 2 1763 290 193 GLU C C 178.180 0.004 1 1764 290 193 GLU CA C 58.907 0.028 1 1765 290 193 GLU CB C 29.431 0.035 1 1766 290 193 GLU CG C 36.072 0.020 1 1767 290 193 GLU N N 119.951 0.036 1 1768 291 194 LEU H H 7.751 0.005 1 1769 291 194 LEU HA H 4.077 0.005 1 1770 291 194 LEU HB2 H 2.034 0.008 2 1771 291 194 LEU HB3 H 1.672 0.004 2 1772 291 194 LEU HD1 H 0.786 0.020 1 1773 291 194 LEU C C 176.769 0.014 1 1774 291 194 LEU CA C 56.856 0.049 1 1775 291 194 LEU CB C 42.353 0.058 1 1776 291 194 LEU CG C 26.363 0.020 1 1777 291 194 LEU CD1 C 23.879 0.020 2 1778 291 194 LEU N N 119.785 0.031 1 1779 292 195 GLY H H 8.003 0.004 1 1780 292 195 GLY HA2 H 4.232 0.004 2 1781 292 195 GLY HA3 H 3.764 0.009 2 1782 292 195 GLY C C 173.950 0.020 1 1783 292 195 GLY CA C 44.919 0.069 1 1784 292 195 GLY N N 103.869 0.041 1 1785 293 196 ALA H H 7.770 0.004 1 1786 293 196 ALA HA H 4.673 0.005 1 1787 293 196 ALA HB H 1.270 0.008 1 1788 293 196 ALA C C 174.208 0.005 1 1789 293 196 ALA CA C 50.491 0.036 1 1790 293 196 ALA CB C 22.422 0.013 1 1791 293 196 ALA N N 121.819 0.018 1 1792 294 197 SER H H 7.629 0.004 1 1793 294 197 SER HA H 4.202 0.006 1 1794 294 197 SER HB2 H 3.595 0.005 2 1795 294 197 SER HB3 H 3.471 0.015 2 1796 294 197 SER C C 172.156 0.005 1 1797 294 197 SER CA C 57.383 0.035 1 1798 294 197 SER CB C 64.376 0.031 1 1799 294 197 SER N N 112.916 0.019 1 1800 295 198 ASP H H 7.724 0.004 1 1801 295 198 ASP HA H 2.494 0.020 1 1802 295 198 ASP HB2 H 2.299 0.020 2 1803 295 198 ASP HB3 H 1.925 0.020 2 1804 295 198 ASP C C 176.275 0.020 1 1805 295 198 ASP CA C 51.368 0.020 1 1806 295 198 ASP CB C 41.470 0.020 1 1807 295 198 ASP N N 122.458 0.028 1 1808 296 199 PRO HA H 4.220 0.007 1 1809 296 199 PRO HB2 H 1.565 0.018 2 1810 296 199 PRO HB3 H 1.800 0.004 2 1811 296 199 PRO HD2 H 3.432 0.020 2 1812 296 199 PRO HD3 H 3.432 0.020 2 1813 296 199 PRO C C 176.631 0.002 1 1814 296 199 PRO CA C 63.123 0.040 1 1815 296 199 PRO CB C 32.027 0.018 1 1816 296 199 PRO CG C 26.407 0.020 1 1817 296 199 PRO CD C 51.135 0.020 1 1818 297 200 GLY H H 8.799 0.003 1 1819 297 200 GLY HA2 H 3.822 0.008 2 1820 297 200 GLY HA3 H 3.624 0.005 2 1821 297 200 GLY C C 174.949 0.002 1 1822 297 200 GLY CA C 46.314 0.017 1 1823 297 200 GLY N N 110.033 0.022 1 1824 298 201 LEU H H 7.252 0.005 1 1825 298 201 LEU HA H 4.337 0.005 1 1826 298 201 LEU HB2 H 1.657 0.011 2 1827 298 201 LEU HB3 H 1.196 0.006 2 1828 298 201 LEU HG H 1.340 0.011 1 1829 298 201 LEU HD1 H 0.921 2.112 1 1830 298 201 LEU HD2 H 0.257 0.020 1 1831 298 201 LEU C C 177.440 0.007 1 1832 298 201 LEU CA C 54.566 0.049 1 1833 298 201 LEU CB C 43.685 0.042 1 1834 298 201 LEU CG C 28.303 0.096 1 1835 298 201 LEU CD1 C 23.796 0.011 2 1836 298 201 LEU CD2 C 24.256 0.017 2 1837 298 201 LEU N N 121.289 0.021 1 1838 299 202 ALA H H 8.568 0.004 1 1839 299 202 ALA HA H 4.477 0.008 1 1840 299 202 ALA HB H 1.521 0.008 1 1841 299 202 ALA C C 179.030 0.007 1 1842 299 202 ALA CA C 51.834 0.042 1 1843 299 202 ALA CB C 19.442 0.017 1 1844 299 202 ALA N N 125.737 0.024 1 1845 300 203 SER H H 8.826 0.003 1 1846 300 203 SER HA H 4.435 0.006 1 1847 300 203 SER HB2 H 3.903 0.020 2 1848 300 203 SER HB3 H 4.020 0.020 2 1849 300 203 SER C C 173.579 0.004 1 1850 300 203 SER CA C 59.237 0.019 1 1851 300 203 SER CB C 63.956 0.021 1 1852 300 203 SER N N 117.238 0.034 1 1853 301 204 GLY H H 8.554 0.005 1 1854 301 204 GLY HA2 H 4.588 0.002 2 1855 301 204 GLY HA3 H 3.941 0.008 2 1856 301 204 GLY C C 171.624 0.004 1 1857 301 204 GLY CA C 44.746 0.013 1 1858 301 204 GLY N N 108.567 0.028 1 1859 302 205 ASP H H 8.395 0.008 1 1860 302 205 ASP HA H 5.575 0.005 1 1861 302 205 ASP HB2 H 2.919 0.004 2 1862 302 205 ASP HB3 H 2.533 0.002 2 1863 302 205 ASP C C 175.289 0.012 1 1864 302 205 ASP CA C 54.321 0.038 1 1865 302 205 ASP CB C 40.719 0.064 1 1866 302 205 ASP N N 122.239 0.026 1 1867 303 206 TYR H H 9.341 0.005 1 1868 303 206 TYR HA H 4.928 0.004 1 1869 303 206 TYR HB2 H 3.038 0.016 2 1870 303 206 TYR HB3 H 2.823 0.003 2 1871 303 206 TYR C C 176.104 0.004 1 1872 303 206 TYR CA C 57.009 0.062 1 1873 303 206 TYR CB C 42.790 0.029 1 1874 303 206 TYR N N 120.909 0.030 1 1875 304 207 LYS H H 9.214 0.004 1 1876 304 207 LYS HA H 5.080 0.009 1 1877 304 207 LYS HB2 H 1.858 0.004 2 1878 304 207 LYS HB3 H 1.768 0.003 2 1879 304 207 LYS HG2 H 1.404 0.020 2 1880 304 207 LYS HD2 H 1.599 0.020 2 1881 304 207 LYS HE2 H 2.926 0.020 2 1882 304 207 LYS C C 174.041 0.004 1 1883 304 207 LYS CA C 55.025 0.047 1 1884 304 207 LYS CB C 34.771 0.039 1 1885 304 207 LYS CG C 25.008 0.020 1 1886 304 207 LYS CD C 29.086 0.020 1 1887 304 207 LYS CE C 42.226 0.020 1 1888 304 207 LYS N N 121.585 0.035 1 1889 305 208 LEU H H 9.059 0.005 1 1890 305 208 LEU HA H 4.713 0.012 1 1891 305 208 LEU HB2 H 1.533 0.008 2 1892 305 208 LEU HB3 H 0.850 0.014 2 1893 305 208 LEU HG H 1.044 0.018 1 1894 305 208 LEU HD1 H 0.555 0.010 1 1895 305 208 LEU HD2 H -0.178 0.009 1 1896 305 208 LEU C C 174.014 0.020 1 1897 305 208 LEU CA C 53.347 0.035 1 1898 305 208 LEU CB C 44.225 0.031 1 1899 305 208 LEU CG C 26.866 0.051 1 1900 305 208 LEU CD1 C 26.835 0.125 2 1901 305 208 LEU CD2 C 21.840 0.059 2 1902 305 208 LEU N N 125.224 0.014 1 1903 306 209 GLN H H 8.804 0.005 1 1904 306 209 GLN HA H 5.063 0.007 1 1905 306 209 GLN HB2 H 2.047 0.013 2 1906 306 209 GLN HB3 H 2.025 0.002 2 1907 306 209 GLN HG2 H 2.335 0.005 2 1908 306 209 GLN HG3 H 2.199 0.009 2 1909 306 209 GLN C C 175.476 0.025 1 1910 306 209 GLN CA C 54.064 0.032 1 1911 306 209 GLN CB C 30.750 0.020 1 1912 306 209 GLN CG C 34.237 0.030 1 1913 306 209 GLN N N 125.589 0.035 1 1914 307 210 VAL H H 9.889 0.006 1 1915 307 210 VAL HA H 5.375 0.005 1 1916 307 210 VAL HB H 2.454 0.001 1 1917 307 210 VAL HG1 H 0.859 0.006 1 1918 307 210 VAL HG2 H 1.057 0.006 1 1919 307 210 VAL C C 175.797 0.008 1 1920 307 210 VAL CA C 60.442 0.042 1 1921 307 210 VAL CB C 32.736 0.034 1 1922 307 210 VAL CG1 C 21.396 0.049 2 1923 307 210 VAL CG2 C 21.654 0.064 2 1924 307 210 VAL N N 131.310 0.031 1 1925 308 211 GLY H H 9.369 0.011 1 1926 308 211 GLY HA2 H 4.534 0.006 2 1927 308 211 GLY HA3 H 3.641 0.004 2 1928 308 211 GLY C C 172.864 0.004 1 1929 308 211 GLY CA C 43.952 0.032 1 1930 308 211 GLY N N 116.874 0.019 1 1931 309 212 ASP H H 8.543 0.006 1 1932 309 212 ASP HA H 4.882 0.005 1 1933 309 212 ASP HB2 H 2.865 0.003 2 1934 309 212 ASP HB3 H 2.011 0.009 2 1935 309 212 ASP C C 175.802 0.006 1 1936 309 212 ASP CA C 53.772 0.023 1 1937 309 212 ASP CB C 41.114 0.086 1 1938 309 212 ASP N N 121.894 0.027 1 1939 310 213 LEU H H 8.180 0.005 1 1940 310 213 LEU HA H 4.751 0.011 1 1941 310 213 LEU HB2 H 1.249 0.008 2 1942 310 213 LEU HB3 H 1.691 0.012 2 1943 310 213 LEU HG H 1.457 0.007 1 1944 310 213 LEU HD1 H 0.752 0.002 1 1945 310 213 LEU HD2 H 0.790 0.005 1 1946 310 213 LEU C C 178.107 0.003 1 1947 310 213 LEU CA C 53.807 0.038 1 1948 310 213 LEU CB C 41.758 0.023 1 1949 310 213 LEU CG C 27.295 0.061 1 1950 310 213 LEU CD1 C 26.151 0.007 2 1951 310 213 LEU CD2 C 23.483 0.076 2 1952 310 213 LEU N N 129.563 0.018 1 1953 311 214 ASP H H 8.834 0.005 1 1954 311 214 ASP HA H 4.234 0.008 1 1955 311 214 ASP HB2 H 2.806 0.007 2 1956 311 214 ASP HB3 H 3.266 0.007 2 1957 311 214 ASP C C 175.099 0.001 1 1958 311 214 ASP CA C 58.089 0.030 1 1959 311 214 ASP CB C 38.882 0.055 1 1960 311 214 ASP N N 116.168 0.033 1 1961 312 215 ASN H H 8.801 0.003 1 1962 312 215 ASN HA H 4.501 0.010 1 1963 312 215 ASN HB2 H 2.996 0.014 2 1964 312 215 ASN HB3 H 2.820 0.016 2 1965 312 215 ASN C C 173.364 0.012 1 1966 312 215 ASN CA C 53.674 0.069 1 1967 312 215 ASN CB C 37.726 0.020 1 1968 312 215 ASN N N 119.607 0.028 1 1969 313 216 ARG H H 7.490 0.004 1 1970 313 216 ARG HA H 4.880 0.003 1 1971 313 216 ARG HB2 H 1.694 0.009 2 1972 313 216 ARG HG2 H 1.508 0.004 2 1973 313 216 ARG HD2 H 3.143 0.010 2 1974 313 216 ARG HD3 H 2.958 0.020 2 1975 313 216 ARG C C 174.499 0.003 1 1976 313 216 ARG CA C 54.560 0.028 1 1977 313 216 ARG CB C 33.370 0.032 1 1978 313 216 ARG CG C 27.185 0.020 1 1979 313 216 ARG CD C 43.715 0.038 1 1980 313 216 ARG N N 117.254 0.020 1 1981 314 217 SER H H 8.814 0.007 1 1982 314 217 SER HA H 5.665 0.005 1 1983 314 217 SER HB2 H 3.820 0.005 2 1984 314 217 SER HB3 H 3.447 0.007 2 1985 314 217 SER C C 172.443 0.007 1 1986 314 217 SER CA C 58.085 0.031 1 1987 314 217 SER CB C 67.138 0.063 1 1988 314 217 SER N N 113.760 0.031 1 1989 315 218 SER H H 9.387 0.006 1 1990 315 218 SER HA H 5.645 0.006 1 1991 315 218 SER HB2 H 4.296 0.013 2 1992 315 218 SER HB3 H 3.614 0.013 2 1993 315 218 SER C C 173.614 0.009 1 1994 315 218 SER CA C 55.703 0.009 1 1995 315 218 SER CB C 66.948 0.013 1 1996 315 218 SER N N 118.892 0.019 1 1997 316 219 LEU H H 9.320 0.008 1 1998 316 219 LEU HA H 4.966 0.012 1 1999 316 219 LEU HB2 H 1.631 0.007 2 2000 316 219 LEU HB3 H 1.023 0.012 2 2001 316 219 LEU HG H 1.427 0.009 1 2002 316 219 LEU HD1 H 0.721 0.022 1 2003 316 219 LEU HD2 H 0.443 0.006 1 2004 316 219 LEU C C 175.347 0.011 1 2005 316 219 LEU CA C 53.738 0.050 1 2006 316 219 LEU CB C 44.535 0.038 1 2007 316 219 LEU CG C 27.558 0.016 1 2008 316 219 LEU CD1 C 21.730 0.020 2 2009 316 219 LEU CD2 C 24.848 0.105 2 2010 316 219 LEU N N 119.297 0.015 1 2011 317 220 GLN H H 8.351 0.005 1 2012 317 220 GLN HA H 4.989 0.005 1 2013 317 220 GLN HB2 H 1.836 0.046 2 2014 317 220 GLN HB3 H 2.147 0.013 2 2015 317 220 GLN HG2 H 2.645 0.020 2 2016 317 220 GLN C C 173.875 0.008 1 2017 317 220 GLN CA C 55.417 0.008 1 2018 317 220 GLN CB C 34.264 0.096 1 2019 317 220 GLN CG C 35.675 0.020 1 2020 317 220 GLN N N 122.665 0.039 1 2021 318 221 PHE H H 9.022 0.004 1 2022 318 221 PHE HA H 5.305 0.006 1 2023 318 221 PHE HB2 H 3.018 0.009 2 2024 318 221 PHE HB3 H 2.719 0.021 2 2025 318 221 PHE C C 174.968 0.005 1 2026 318 221 PHE CA C 58.093 0.050 1 2027 318 221 PHE CB C 42.464 0.082 1 2028 318 221 PHE N N 126.094 0.035 1 2029 319 222 ILE H H 9.317 0.004 1 2030 319 222 ILE HA H 4.473 0.005 1 2031 319 222 ILE HB H 1.760 0.010 1 2032 319 222 ILE HG12 H 1.471 0.013 2 2033 319 222 ILE HG13 H 1.123 0.038 2 2034 319 222 ILE HG2 H 0.935 0.020 1 2035 319 222 ILE HD1 H 0.805 0.020 1 2036 319 222 ILE C C 175.370 0.012 1 2037 319 222 ILE CA C 60.219 0.091 1 2038 319 222 ILE CB C 40.039 0.011 1 2039 319 222 ILE CG1 C 28.107 0.055 1 2040 319 222 ILE CG2 C 18.015 0.020 1 2041 319 222 ILE CD1 C 12.918 0.020 1 2042 319 222 ILE N N 121.340 0.040 1 2043 320 223 ASP H H 9.104 0.004 1 2044 320 223 ASP HA H 4.482 0.020 1 2045 320 223 ASP HB2 H 3.211 0.020 2 2046 320 223 ASP HB3 H 2.708 0.020 2 2047 320 223 ASP C C 176.167 0.020 1 2048 320 223 ASP CA C 53.177 0.020 1 2049 320 223 ASP N N 127.859 0.020 1 2050 321 224 PRO HA H 4.455 0.007 1 2051 321 224 PRO HB2 H 1.720 0.007 2 2052 321 224 PRO HB3 H 2.556 0.008 2 2053 321 224 PRO HD2 H 3.367 0.020 2 2054 321 224 PRO HD3 H 3.367 0.020 2 2055 321 224 PRO C C 178.019 0.006 1 2056 321 224 PRO CA C 65.022 0.016 1 2057 321 224 PRO CB C 32.355 0.011 1 2058 321 224 PRO CG C 27.436 0.020 1 2059 321 224 PRO CD C 50.771 0.020 1 2060 322 225 LYS H H 7.954 0.005 1 2061 322 225 LYS HA H 4.327 0.006 1 2062 322 225 LYS HB2 H 1.786 0.027 2 2063 322 225 LYS HG2 H 1.378 0.020 2 2064 322 225 LYS HD2 H 1.667 0.020 2 2065 322 225 LYS HE2 H 2.998 0.020 2 2066 322 225 LYS C C 176.460 0.006 1 2067 322 225 LYS CA C 55.027 0.030 1 2068 322 225 LYS CB C 32.289 0.015 1 2069 322 225 LYS CG C 25.262 0.020 1 2070 322 225 LYS CD C 28.861 0.020 1 2071 322 225 LYS CE C 42.269 0.020 1 2072 322 225 LYS N N 115.356 0.028 1 2073 323 226 GLY H H 8.429 0.003 1 2074 323 226 GLY HA2 H 4.045 0.006 2 2075 323 226 GLY HA3 H 3.490 0.005 2 2076 323 226 GLY C C 174.505 0.006 1 2077 323 226 GLY CA C 45.490 0.032 1 2078 323 226 GLY N N 107.803 0.019 1 2079 324 227 HIS H H 8.371 0.004 1 2080 324 227 HIS HA H 5.075 0.017 1 2081 324 227 HIS HB2 H 3.315 0.014 2 2082 324 227 HIS C C 175.192 0.004 1 2083 324 227 HIS CA C 53.811 0.040 1 2084 324 227 HIS CB C 30.257 0.027 1 2085 324 227 HIS N N 120.489 0.028 1 2086 325 228 THR H H 8.261 0.004 1 2087 325 228 THR HA H 4.882 0.004 1 2088 325 228 THR HB H 4.646 0.013 1 2089 325 228 THR HG2 H 1.329 0.002 1 2090 325 228 THR C C 175.861 0.020 1 2091 325 228 THR CA C 62.024 0.045 1 2092 325 228 THR CB C 69.481 0.020 1 2093 325 228 THR CG2 C 22.848 0.020 1 2094 325 228 THR N N 115.322 0.044 1 2095 326 229 LEU H H 7.872 0.005 1 2096 326 229 LEU HA H 4.469 0.013 1 2097 326 229 LEU HB2 H 1.873 0.005 2 2098 326 229 LEU HB3 H 1.753 0.003 2 2099 326 229 LEU HG H 1.948 0.020 1 2100 326 229 LEU HD2 H 0.772 0.001 1 2101 326 229 LEU C C 178.749 0.009 1 2102 326 229 LEU CA C 55.461 0.046 1 2103 326 229 LEU CB C 41.226 0.026 1 2104 326 229 LEU CG C 27.110 0.020 1 2105 326 229 LEU CD1 C 21.984 0.020 2 2106 326 229 LEU CD2 C 27.193 0.059 2 2107 326 229 LEU N N 120.291 0.030 1 2108 327 230 THR H H 8.420 0.004 1 2109 327 230 THR HA H 4.310 0.011 1 2110 327 230 THR HB H 4.723 0.012 1 2111 327 230 THR HG2 H 1.376 0.020 1 2112 327 230 THR C C 175.106 0.002 1 2113 327 230 THR CA C 61.169 0.036 1 2114 327 230 THR CB C 70.816 0.064 1 2115 327 230 THR CG2 C 21.981 0.020 1 2116 327 230 THR N N 111.050 0.016 1 2117 328 231 GLN H H 9.121 0.004 1 2118 328 231 GLN HA H 3.778 0.010 1 2119 328 231 GLN HB2 H 2.227 0.020 2 2120 328 231 GLN HB3 H 2.151 0.010 2 2121 328 231 GLN HG2 H 2.427 0.020 2 2122 328 231 GLN C C 177.760 0.020 1 2123 328 231 GLN CA C 59.862 0.056 1 2124 328 231 GLN CB C 28.584 0.028 1 2125 328 231 GLN CG C 33.338 0.020 1 2126 328 231 GLN N N 121.167 0.024 1 2127 329 232 SER H H 8.470 0.004 1 2128 329 232 SER HA H 4.221 0.014 1 2129 329 232 SER HB2 H 3.846 0.020 2 2130 329 232 SER C C 177.651 0.009 1 2131 329 232 SER CA C 61.770 0.081 1 2132 329 232 SER CB C 62.363 0.020 1 2133 329 232 SER N N 112.023 0.014 1 2134 330 233 GLN H H 7.466 0.008 1 2135 330 233 GLN HA H 4.070 0.006 1 2136 330 233 GLN HB2 H 2.355 0.017 2 2137 330 233 GLN HB3 H 1.731 0.012 2 2138 330 233 GLN HG2 H 2.267 0.020 2 2139 330 233 GLN C C 177.166 0.003 1 2140 330 233 GLN CA C 58.704 0.040 1 2141 330 233 GLN CB C 29.965 0.047 1 2142 330 233 GLN CG C 34.832 0.020 1 2143 330 233 GLN N N 122.477 0.023 1 2144 331 234 ASN H H 8.531 0.004 1 2145 331 234 ASN HA H 4.076 0.003 1 2146 331 234 ASN HB2 H 2.821 0.006 2 2147 331 234 ASN HB3 H 2.334 0.014 2 2148 331 234 ASN C C 177.225 0.002 1 2149 331 234 ASN CA C 57.888 0.024 1 2150 331 234 ASN CB C 41.655 0.037 1 2151 331 234 ASN N N 117.438 0.022 1 2152 332 235 ASP H H 8.788 0.003 1 2153 332 235 ASP HA H 4.425 0.012 1 2154 332 235 ASP HB2 H 2.804 0.001 2 2155 332 235 ASP HB3 H 2.700 0.010 2 2156 332 235 ASP C C 179.893 0.009 1 2157 332 235 ASP CA C 57.360 0.026 1 2158 332 235 ASP CB C 39.701 0.036 1 2159 332 235 ASP N N 116.884 0.032 1 2160 333 236 ALA H H 7.693 0.004 1 2161 333 236 ALA HA H 4.200 0.002 1 2162 333 236 ALA HB H 1.524 0.008 1 2163 333 236 ALA C C 179.051 0.003 1 2164 333 236 ALA CA C 54.441 0.058 1 2165 333 236 ALA CB C 18.904 0.017 1 2166 333 236 ALA N N 123.117 0.026 1 2167 334 237 LEU H H 7.771 0.003 1 2168 334 237 LEU HA H 4.139 0.011 1 2169 334 237 LEU HB2 H 2.315 0.015 2 2170 334 237 LEU HB3 H 1.536 0.012 2 2171 334 237 LEU HG H 1.781 0.005 1 2172 334 237 LEU HD1 H 0.401 0.020 1 2173 334 237 LEU HD2 H 0.444 0.020 1 2174 334 237 LEU C C 178.356 0.008 1 2175 334 237 LEU CA C 55.580 0.039 1 2176 334 237 LEU CB C 42.531 0.016 1 2177 334 237 LEU CG C 26.106 0.020 1 2178 334 237 LEU CD1 C 26.072 0.003 2 2179 334 237 LEU CD2 C 22.508 0.014 2 2180 334 237 LEU N N 116.464 0.016 1 2181 335 238 VAL H H 7.690 0.004 1 2182 335 238 VAL HA H 3.465 0.008 1 2183 335 238 VAL HB H 2.266 0.016 1 2184 335 238 VAL HG1 H 0.913 0.005 1 2185 335 238 VAL HG2 H 1.107 0.008 1 2186 335 238 VAL C C 177.487 0.011 1 2187 335 238 VAL CA C 67.719 0.041 1 2188 335 238 VAL CB C 31.266 0.040 1 2189 335 238 VAL CG1 C 21.279 0.035 2 2190 335 238 VAL CG2 C 24.366 0.037 2 2191 335 238 VAL N N 122.325 0.023 1 2192 336 239 ALA H H 8.212 0.005 1 2193 336 239 ALA HA H 4.260 0.005 1 2194 336 239 ALA HB H 1.540 0.005 1 2195 336 239 ALA C C 180.995 0.004 1 2196 336 239 ALA CA C 54.851 0.015 1 2197 336 239 ALA CB C 18.674 0.023 1 2198 336 239 ALA N N 118.605 0.023 1 2199 337 240 VAL H H 6.772 0.004 1 2200 337 240 VAL HA H 3.423 0.006 1 2201 337 240 VAL HB H 2.154 0.009 1 2202 337 240 VAL HG1 H 0.940 0.003 1 2203 337 240 VAL HG2 H 0.742 0.009 1 2204 337 240 VAL C C 176.890 0.001 1 2205 337 240 VAL CA C 66.011 0.053 1 2206 337 240 VAL CB C 32.078 0.018 1 2207 337 240 VAL CG1 C 22.336 0.020 2 2208 337 240 VAL CG2 C 22.336 0.020 2 2209 337 240 VAL N N 116.286 0.013 1 2210 338 241 PHE H H 8.602 0.012 1 2211 338 241 PHE HA H 4.065 0.004 1 2212 338 241 PHE HB2 H 3.004 0.006 2 2213 338 241 PHE C C 177.821 0.007 1 2214 338 241 PHE CA C 63.249 0.020 1 2215 338 241 PHE CB C 38.519 0.016 1 2216 338 241 PHE N N 116.884 0.025 1 2217 339 242 GLN H H 9.059 0.004 1 2218 339 242 GLN HA H 4.180 0.004 1 2219 339 242 GLN HB2 H 2.127 0.005 2 2220 339 242 GLN HB3 H 2.419 0.022 2 2221 339 242 GLN C C 179.177 0.002 1 2222 339 242 GLN CA C 59.738 0.030 1 2223 339 242 GLN CB C 28.448 0.041 1 2224 339 242 GLN CG C 33.891 0.020 1 2225 339 242 GLN N N 121.479 0.038 1 2226 340 243 ALA H H 7.526 0.004 1 2227 340 243 ALA HA H 4.248 0.020 1 2228 340 243 ALA HB H 1.513 0.006 1 2229 340 243 ALA C C 180.724 0.007 1 2230 340 243 ALA CA C 54.879 0.025 1 2231 340 243 ALA CB C 18.221 0.044 1 2232 340 243 ALA N N 120.165 0.065 1 2233 341 244 ALA H H 8.409 0.004 1 2234 341 244 ALA HA H 3.788 0.011 1 2235 341 244 ALA HB H 1.226 0.009 1 2236 341 244 ALA C C 179.711 0.007 1 2237 341 244 ALA CA C 55.710 0.010 1 2238 341 244 ALA CB C 18.926 0.015 1 2239 341 244 ALA N N 121.207 0.028 1 2240 342 245 PHE H H 8.468 0.005 1 2241 342 245 PHE HA H 4.584 0.004 1 2242 342 245 PHE HB2 H 3.405 0.007 2 2243 342 245 PHE HB3 H 3.198 0.004 2 2244 342 245 PHE C C 176.504 0.007 1 2245 342 245 PHE CA C 59.692 0.016 1 2246 342 245 PHE CB C 39.064 0.006 1 2247 342 245 PHE N N 112.735 0.036 1 2248 343 246 SER H H 7.582 0.003 1 2249 343 246 SER HA H 4.582 0.003 1 2250 343 246 SER HB2 H 4.116 0.007 2 2251 343 246 SER C C 174.125 0.007 1 2252 343 246 SER CA C 59.650 0.046 1 2253 343 246 SER CB C 64.287 0.024 1 2254 343 246 SER N N 113.796 0.035 1 2255 344 247 LYS H H 7.542 0.011 1 2256 344 247 LYS HA H 4.694 0.020 1 2257 344 247 LYS HB2 H 1.834 0.020 2 2258 344 247 LYS C C 174.389 0.020 1 2259 344 247 LYS N N 123.073 0.026 1 2260 345 248 PRO HA H 4.460 0.004 1 2261 345 248 PRO HB2 H 1.996 0.015 2 2262 345 248 PRO HB3 H 2.295 0.012 2 2263 345 248 PRO CA C 63.448 0.047 1 2264 345 248 PRO CB C 32.268 0.018 1 2265 345 248 PRO CG C 27.340 0.020 1 2266 345 248 PRO CD C 50.701 0.020 1 2267 346 249 GLY H H 7.994 0.004 1 2268 346 249 GLY HA2 H 3.731 0.020 1 2269 346 249 GLY CA C 46.312 0.020 1 2270 346 249 GLY N N 115.149 0.018 1 stop_ save_ save_RDC_list_1 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $sample_3 $sample_1 stop_ loop_ _Residual_dipolar_coupling_ID _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name _Residual_dipolar_coupling_value _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value _Residual_dipolar_coupling_value_error DHN 4 GLY N 4 GLY H 4.31 ? ? . . 1.5 DHN 6 THR N 6 THR H -13.42 ? ? . . 1.5 DHN 7 ALA N 7 ALA H -1.21 ? ? . . 1.5 DHN 8 SER N 8 SER H 5.59 ? ? . . 1.5 DHN 13 ASN N 13 ASN H -18.66 ? ? . . 1.5 DHN 14 GLY N 14 GLY H -5.30 ? ? . . 1.5 DHN 15 ARG N 15 ARG H -2.49 ? ? . . 1.5 DHN 16 GLY N 16 GLY H -6.56 ? ? . . 1.5 DHN 17 ASN N 17 ASN H 5.47 ? ? . . 1.5 DHN 18 THR N 18 THR H -3.10 ? ? . . 1.5 DHN 20 TRP N 20 TRP H 1.34 ? ? . . 1.5 DHN 24 VAL N 24 VAL H 6.63 ? ? . . 1.5 DHN 26 VAL N 26 VAL H -29.72 ? ? . . 1.5 DHN 27 LEU N 27 LEU H 1.03 ? ? . . 1.5 DHN 28 GLN N 28 GLN H 12.89 ? ? . . 1.5 DHN 29 ALA N 29 ALA H -9.42 ? ? . . 1.5 DHN 35 THR N 35 THR H -9.55 ? ? . . 1.5 DHN 36 GLN N 36 GLN H 3.59 ? ? . . 1.5 DHN 37 ARG N 37 ARG H 1.70 ? ? . . 1.5 DHN 39 ASP N 39 ASP H -4.79 ? ? . . 1.5 DHN 40 ALA N 40 ALA H 10.76 ? ? . . 1.5 DHN 41 GLY N 41 GLY H -1.09 ? ? . . 1.5 DHN 42 GLN N 42 GLN H -1.63 ? ? . . 1.5 DHN 44 LEU N 44 LEU H 2.19 ? ? . . 1.5 DHN 45 THR N 45 THR H 0.00 ? ? . . 1.5 DHN 46 THR N 46 THR H -14.95 ? ? . . 1.5 DHN 48 TRP N 48 TRP H 5.17 ? ? . . 1.5 DHN 49 VAL N 49 VAL H -41.14 ? ? . . 1.5 DHN 52 ASN N 52 ASN H 25.83 ? ? . . 1.5 DHN 54 LEU N 54 LEU H 17.33 ? ? . . 1.5 DHN 55 ASP N 55 ASP H 17.98 ? ? . . 1.5 DHN 56 GLU N 56 GLU H -1.52 ? ? . . 1.5 DHN 57 ASP N 57 ASP H -19.69 ? ? . . 1.5 DHN 58 GLU N 58 GLU H -13.43 ? ? . . 1.5 DHN 60 TYR N 60 TYR H -0.37 ? ? . . 1.5 DHN 62 GLY N 62 GLY H -23.94 ? ? . . 1.5 DHN 63 ARG N 63 ARG H -20.91 ? ? . . 1.5 DHN 65 GLN N 65 GLN H 1.51 ? ? . . 1.5 DHN 66 ILE N 66 ILE H -1.28 ? ? . . 1.5 DHN 67 SER N 67 SER H 10.09 ? ? . . 1.5 DHN 71 GLN N 71 GLN H -16.11 ? ? . . 1.5 DHN 73 TYR N 73 TYR H 0.25 ? ? . . 1.5 DHN 74 GLN N 74 GLN H -23.40 ? ? . . 1.5 DHN 75 GLN N 75 GLN H -14.59 ? ? . . 1.5 DHN 78 THR N 78 THR H 12.52 ? ? . . 1.5 DHN 79 VAL N 79 VAL H -3.35 ? ? . . 1.5 DHN 80 LYS N 80 LYS H 1.28 ? ? . . 1.5 DHN 81 LEU N 81 LEU H -18.23 ? ? . . 1.5 DHN 86 GLN N 86 GLN H -9.85 ? ? . . 1.5 DHN 87 ALA N 87 ALA H 3.59 ? ? . . 1.5 DHN 88 GLY N 88 GLY H 30.74 ? ? . . 1.5 DHN 89 LYS N 89 LYS H -9.66 ? ? . . 1.5 DHN 94 ALA N 94 ALA H -12.04 ? ? . . 1.5 DHN 98 GLN N 98 GLN H -5.89 ? ? . . 1.5 DHN 100 TYR N 100 TYR H 3.10 ? ? . . 1.5 DHN 101 SER N 101 SER H 0.36 ? ? . . 1.5 DHN 104 MET N 104 MET H -15.68 ? ? . . 1.5 DHN 107 VAL N 107 VAL H 4.26 ? ? . . 1.5 DHN 109 SER N 109 SER H 29.23 ? ? . . 1.5 DHN 111 GLY N 111 GLY H -0.91 ? ? . . 1.5 DHN 115 SER N 115 SER H 2.50 ? ? . . 1.5 DHN 117 THR N 117 THR H 12.94 ? ? . . 1.5 DHN 119 ALA N 119 ALA H 6.75 ? ? . . 1.5 DHN 120 ALA N 120 ALA H 15.25 ? ? . . 1.5 DHN 121 ASN N 121 ASN H 11.72 ? ? . . 1.5 DHN 122 ALA N 122 ALA H 2.97 ? ? . . 1.5 DHN 123 ALA N 123 ALA H 6.92 ? ? . . 1.5 DHN 124 GLN N 124 GLN H 9.12 ? ? . . 1.5 DHN 125 ASN N 125 ASN H 1.33 ? ? . . 1.5 DHN 126 ARG N 126 ARG H -5.59 ? ? . . 1.5 DHN 127 ALA N 127 ALA H -0.67 ? ? . . 1.5 DHN 128 SER N 128 SER H -0.48 ? ? . . 1.5 DHN 129 THR N 129 THR H -4.63 ? ? . . 1.5 DHN 131 MET N 131 MET H 6.50 ? ? . . 1.5 DHN 133 VAL N 133 VAL H 17.02 ? ? . . 1.5 DHN 134 GLN N 134 GLN H 0.55 ? ? . . 1.5 DHN 135 SER N 135 SER H -6.38 ? ? . . 1.5 DHN 137 ALA N 137 ALA H -5.83 ? ? . . 1.5 DHN 138 ASP N 138 ASP H -7.96 ? ? . . 1.5 DHN 139 ASP N 139 ASP H -18.85 ? ? . . 1.5 DHN 140 THR N 140 THR H 14.64 ? ? . . 1.5 DHN 141 GLY N 141 GLY H -19.69 ? ? . . 1.5 DHN 144 MET N 144 MET H -13.43 ? ? . . 1.5 DHN 146 VAL N 146 VAL H -3.42 ? ? . . 1.5 DHN 147 VAL N 147 VAL H 12.58 ? ? . . 1.5 DHN 149 GLY N 149 GLY H 4.68 ? ? . . 1.5 DHN 151 PHE N 151 PHE H 25.65 ? ? . . 1.5 DHN 152 ASN N 152 ASN H 14.34 ? ? . . 1.5 DHN 153 VAL N 153 VAL H 7.06 ? ? . . 1.5 DHN 155 TRP N 155 TRP H 18.84 ? ? . . 1.5 DHN 157 ARG N 157 ARG H 17.51 ? ? . . 1.5 DHN 161 ALA N 161 ALA H 21.64 ? ? . . 1.5 DHN 163 GLU N 163 GLU H -9.48 ? ? . . 1.5 DHN 164 LYS N 164 LYS H 11.19 ? ? . . 1.5 DHN 165 VAL N 165 VAL H 8.70 ? ? . . 1.5 DHN 166 GLY N 166 GLY H -11.84 ? ? . . 1.5 DHN 169 VAL N 169 VAL H 1.03 ? ? . . 1.5 DHN 171 ASP N 171 ASP H -17.39 ? ? . . 1.5 DHN 172 SER N 172 SER H -18.05 ? ? . . 1.5 DHN 173 THR N 173 THR H -20.38 ? ? . . 1.5 DHN 176 GLN N 176 GLN H 20.41 ? ? . . 1.5 DHN 177 GLY N 177 GLY H -20.97 ? ? . . 1.5 DHN 179 MET N 179 MET H -19.20 ? ? . . 1.5 DHN 181 VAL N 181 VAL H -3.53 ? ? . . 1.5 DHN 182 THR N 182 THR H -10.88 ? ? . . 1.5 DHN 183 TYR N 183 TYR H 0.66 ? ? . . 1.5 DHN 184 LYS N 184 LYS H -15.25 ? ? . . 1.5 DHN 186 LEU N 186 LEU H 11.85 ? ? . . 1.5 DHN 187 SER N 187 SER H -17.25 ? ? . . 1.5 DHN 188 ASP N 188 ASP H -9.05 ? ? . . 1.5 DHN 189 SER N 189 SER H -6.93 ? ? . . 1.5 DHN 190 ASP N 190 ASP H -14.83 ? ? . . 1.5 DHN 191 TRP N 191 TRP H -13.30 ? ? . . 1.5 DHN 192 GLN N 192 GLN H -2.62 ? ? . . 1.5 DHN 194 LEU N 194 LEU H -15.80 ? ? . . 1.5 DHN 195 GLY N 195 GLY H 5.10 ? ? . . 1.5 DHN 196 ALA N 196 ALA H 4.25 ? ? . . 1.5 DHN 197 SER N 197 SER H 14.59 ? ? . . 1.5 DHN 200 GLY N 200 GLY H 23.09 ? ? . . 1.5 DHN 201 LEU N 201 LEU H 4.61 ? ? . . 1.5 DHN 202 ALA N 202 ALA H 26.20 ? ? . . 1.5 DHN 203 SER N 203 SER H -1.77 ? ? . . 1.5 DHN 204 GLY N 204 GLY H -4.25 ? ? . . 1.5 DHN 205 ASP N 205 ASP H -13.49 ? ? . . 1.5 DHN 207 LYS N 207 LYS H -17.86 ? ? . . 1.5 DHN 210 VAL N 210 VAL H -14.77 ? ? . . 1.5 DHN 211 GLY N 211 GLY H 3.58 ? ? . . 1.5 DHN 212 ASP N 212 ASP H 11.43 ? ? . . 1.5 DHN 213 LEU N 213 LEU H 30.93 ? ? . . 1.5 DHN 215 ASN N 215 ASN H -2.74 ? ? . . 1.5 DHN 217 SER N 217 SER H 18.11 ? ? . . 1.5 DHN 218 SER N 218 SER H 2.55 ? ? . . 1.5 DHN 219 LEU N 219 LEU H -16.84 ? ? . . 1.5 DHN 221 PHE N 221 PHE H -17.24 ? ? . . 1.5 DHN 223 ASP N 223 ASP H 2.06 ? ? . . 1.5 DHN 225 LYS N 225 LYS H -7.60 ? ? . . 1.5 DHN 226 GLY N 226 GLY H 18.12 ? ? . . 1.5 DHN 227 HIS N 227 HIS H 26.74 ? ? . . 1.5 DHN 228 THR N 228 THR H 18.24 ? ? . . 1.5 DHN 230 THR N 230 THR H 21.52 ? ? . . 1.5 DHN 231 GLN N 231 GLN H 5.35 ? ? . . 1.5 DHN 232 SER N 232 SER H -7.65 ? ? . . 1.5 DHN 233 GLN N 233 GLN H 16.53 ? ? . . 1.5 DHN 234 ASN N 234 ASN H 6.57 ? ? . . 1.5 DHN 235 ASP N 235 ASP H -7.18 ? ? . . 1.5 DHN 236 ALA N 236 ALA H -2.06 ? ? . . 1.5 DHN 237 LEU N 237 LEU H 21.09 ? ? . . 1.5 DHN 239 ALA N 239 ALA H -19.88 ? ? . . 1.5 DHN 240 VAL N 240 VAL H 4.68 ? ? . . 1.5 DHN 241 PHE N 241 PHE H -0.97 ? ? . . 1.5 DHN 242 GLN N 242 GLN H -19.95 ? ? . . 1.5 DHN 243 ALA N 243 ALA H -16.04 ? ? . . 1.5 DHN 244 ALA N 244 ALA H -8.20 ? ? . . 1.5 DHN 245 PHE N 245 PHE H -12.58 ? ? . . 1.5 DHN 247 LYS N 247 LYS H 0.42 ? ? . . 1.5 DHN 249 GLY N 249 GLY H -4.62 ? ? . . 1.5 stop_ _Details . _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 599.71 _Text_data_format . _Text_data . save_