data_17863 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Rv0899 from Mycobacterium tuberculosis contains two seperated domains ; _BMRB_accession_number 17863 _BMRB_flat_file_name bmr17863.str _Entry_type original _Submission_date 2011-08-14 _Accession_date 2011-08-14 _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 Shi Chaowei . . 2 Li Juan . . 3 Gao Yuan . . 4 Wu Kaiqi . . 5 Huang Hongda . . 6 Tian Changlin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1011 "13C chemical shifts" 919 "15N chemical shifts" 218 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-02-14 update BMRB 'update entry citation' 2011-09-02 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Studies of Mycobacterium tuberculosis Rv0899 Reveal a Monomeric Membrane-Anchoring Protein with Two Separate Domains.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22108166 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Juan . . 2 Shi Chaowei . . 3 Gao Yuan . . 4 Wu Kaiqi . . 5 Shi Pan . . 6 Lai Chaohua . . 7 Chen Liu . . 8 Wu Fangming . . 9 Tian Changlin . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 415 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 382 _Page_last 392 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Rv0899 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Rv0899 $Rv0899 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_Rv0899 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rv0899 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 284 _Mol_residue_sequence ; MRPQSVTGPTGVLPTLTPTS TRGASALSLSLLSISRSGNT VTLIGDFPDEAAKAALMTAL NGLLAPGVNVIDQIHVDPVV RSLDFSSAEPVFTASVPIPD FGLKVERDTVTLTGTAPSSE HKDAVKRAATSTWPDMKIVN NIEVTGQAPPGPPASGPCAD LQSAINAVTGGPIAFGNDGA SLIPADYEILNRVADKLKAC PDARVTINGYTDNTGSEGIN IPLSAQRAKIVADYLVARGV AGDHIATVGLGSVNPIASNA TPEGRAKNRRVEIVVNLEHH HHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 51 MET 2 52 ARG 3 53 PRO 4 54 GLN 5 55 SER 6 56 VAL 7 57 THR 8 58 GLY 9 59 PRO 10 60 THR 11 61 GLY 12 62 VAL 13 63 LEU 14 64 PRO 15 65 THR 16 66 LEU 17 67 THR 18 68 PRO 19 69 THR 20 70 SER 21 71 THR 22 72 ARG 23 73 GLY 24 74 ALA 25 75 SER 26 76 ALA 27 77 LEU 28 78 SER 29 79 LEU 30 80 SER 31 81 LEU 32 82 LEU 33 83 SER 34 84 ILE 35 85 SER 36 86 ARG 37 87 SER 38 88 GLY 39 89 ASN 40 90 THR 41 91 VAL 42 92 THR 43 93 LEU 44 94 ILE 45 95 GLY 46 96 ASP 47 97 PHE 48 98 PRO 49 99 ASP 50 100 GLU 51 101 ALA 52 102 ALA 53 103 LYS 54 104 ALA 55 105 ALA 56 106 LEU 57 107 MET 58 108 THR 59 109 ALA 60 110 LEU 61 111 ASN 62 112 GLY 63 113 LEU 64 114 LEU 65 115 ALA 66 116 PRO 67 117 GLY 68 118 VAL 69 119 ASN 70 120 VAL 71 121 ILE 72 122 ASP 73 123 GLN 74 124 ILE 75 125 HIS 76 126 VAL 77 127 ASP 78 128 PRO 79 129 VAL 80 130 VAL 81 131 ARG 82 132 SER 83 133 LEU 84 134 ASP 85 135 PHE 86 136 SER 87 137 SER 88 138 ALA 89 139 GLU 90 140 PRO 91 141 VAL 92 142 PHE 93 143 THR 94 144 ALA 95 145 SER 96 146 VAL 97 147 PRO 98 148 ILE 99 149 PRO 100 150 ASP 101 151 PHE 102 152 GLY 103 153 LEU 104 154 LYS 105 155 VAL 106 156 GLU 107 157 ARG 108 158 ASP 109 159 THR 110 160 VAL 111 161 THR 112 162 LEU 113 163 THR 114 164 GLY 115 165 THR 116 166 ALA 117 167 PRO 118 168 SER 119 169 SER 120 170 GLU 121 171 HIS 122 172 LYS 123 173 ASP 124 174 ALA 125 175 VAL 126 176 LYS 127 177 ARG 128 178 ALA 129 179 ALA 130 180 THR 131 181 SER 132 182 THR 133 183 TRP 134 184 PRO 135 185 ASP 136 186 MET 137 187 LYS 138 188 ILE 139 189 VAL 140 190 ASN 141 191 ASN 142 192 ILE 143 193 GLU 144 194 VAL 145 195 THR 146 196 GLY 147 197 GLN 148 198 ALA 149 199 PRO 150 200 PRO 151 201 GLY 152 202 PRO 153 203 PRO 154 204 ALA 155 205 SER 156 206 GLY 157 207 PRO 158 208 CYS 159 209 ALA 160 210 ASP 161 211 LEU 162 212 GLN 163 213 SER 164 214 ALA 165 215 ILE 166 216 ASN 167 217 ALA 168 218 VAL 169 219 THR 170 220 GLY 171 221 GLY 172 222 PRO 173 223 ILE 174 224 ALA 175 225 PHE 176 226 GLY 177 227 ASN 178 228 ASP 179 229 GLY 180 230 ALA 181 231 SER 182 232 LEU 183 233 ILE 184 234 PRO 185 235 ALA 186 236 ASP 187 237 TYR 188 238 GLU 189 239 ILE 190 240 LEU 191 241 ASN 192 242 ARG 193 243 VAL 194 244 ALA 195 245 ASP 196 246 LYS 197 247 LEU 198 248 LYS 199 249 ALA 200 250 CYS 201 251 PRO 202 252 ASP 203 253 ALA 204 254 ARG 205 255 VAL 206 256 THR 207 257 ILE 208 258 ASN 209 259 GLY 210 260 TYR 211 261 THR 212 262 ASP 213 263 ASN 214 264 THR 215 265 GLY 216 266 SER 217 267 GLU 218 268 GLY 219 269 ILE 220 270 ASN 221 271 ILE 222 272 PRO 223 273 LEU 224 274 SER 225 275 ALA 226 276 GLN 227 277 ARG 228 278 ALA 229 279 LYS 230 280 ILE 231 281 VAL 232 282 ALA 233 283 ASP 234 284 TYR 235 285 LEU 236 286 VAL 237 287 ALA 238 288 ARG 239 289 GLY 240 290 VAL 241 291 ALA 242 292 GLY 243 293 ASP 244 294 HIS 245 295 ILE 246 296 ALA 247 297 THR 248 298 VAL 249 299 GLY 250 300 LEU 251 301 GLY 252 302 SER 253 303 VAL 254 304 ASN 255 305 PRO 256 306 ILE 257 307 ALA 258 308 SER 259 309 ASN 260 310 ALA 261 311 THR 262 312 PRO 263 313 GLU 264 314 GLY 265 315 ARG 266 316 ALA 267 317 LYS 268 318 ASN 269 319 ARG 270 320 ARG 271 321 VAL 272 322 GLU 273 323 ILE 274 324 VAL 275 325 VAL 276 326 ASN 277 327 LEU 278 328 GLU 279 329 HIS 280 330 HIS 281 331 HIS 282 332 HIS 283 333 HIS 284 334 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 16237 "amino-terminal domain" 89.44 254 100.00 100.00 8.98e-179 PDB 2L26 "Rv0899 From Mycobacterium Tuberculosis Contains Two Separated Domains" 100.00 284 100.00 100.00 0.00e+00 DBJ BAH25212 "putative outer membrane protein A [Mycobacterium bovis BCG str. Tokyo 172]" 96.83 326 100.00 100.00 0.00e+00 DBJ BAL64801 "outer membrane protein A [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" 96.83 320 100.00 100.00 0.00e+00 DBJ BAQ04819 "outer membrane protein A [Mycobacterium tuberculosis str. Kurono]" 96.83 291 100.00 100.00 0.00e+00 DBJ GAA44658 "outer membrane protein A [Mycobacterium tuberculosis NCGM2209]" 96.83 320 100.00 100.00 0.00e+00 EMBL CAL70937 "probable outer membrane protein A ompA [Mycobacterium bovis BCG str. Pasteur 1173P2]" 96.83 326 100.00 100.00 0.00e+00 EMBL CCC25980 "outer membrane protein A OMPA [Mycobacterium africanum GM041182]" 96.83 326 100.00 100.00 0.00e+00 EMBL CCC43237 "OUTER membrane protein A OMPA [Mycobacterium canettii CIPT 140010059]" 96.83 326 99.64 100.00 0.00e+00 EMBL CCC63509 "probable outer membrane protein A ompA [Mycobacterium bovis BCG str. Moreau RDJ]" 96.83 326 100.00 100.00 0.00e+00 EMBL CCE36433 "ompA [Mycobacterium tuberculosis UT205]" 96.83 326 100.00 100.00 0.00e+00 GB AAK45169 "OmpA family protein [Mycobacterium tuberculosis CDC1551]" 96.83 326 100.00 100.00 0.00e+00 GB ABI54278 "outer membrane protein A [Mycobacterium bovis]" 96.83 326 100.00 100.00 0.00e+00 GB ABQ72638 "outer membrane protein A [Mycobacterium tuberculosis H37Ra]" 96.83 326 100.00 100.00 0.00e+00 GB ABR05261 "outer membrane protein A ompA [Mycobacterium tuberculosis F11]" 96.83 326 100.00 100.00 0.00e+00 GB ACT26182 "outer membrane protein A ompA [Mycobacterium tuberculosis KZN 1435]" 96.83 326 100.00 100.00 0.00e+00 REF NP_215414 "peptidoglycan-binding protein ArfA [Mycobacterium tuberculosis H37Rv]" 96.83 326 100.00 100.00 0.00e+00 REF NP_854580 "outer membrane protein OmpA [Mycobacterium bovis AF2122/97]" 96.83 326 100.00 100.00 0.00e+00 REF WP_003404684 "MULTISPECIES: peptidoglycan-binding protein [Mycobacterium]" 96.83 326 100.00 100.00 0.00e+00 REF WP_003915129 "membrane protein [Mycobacterium tuberculosis]" 96.83 320 100.00 100.00 0.00e+00 REF WP_014000491 "peptidoglycan-binding protein [Mycobacterium canettii]" 96.83 326 99.64 100.00 0.00e+00 SP A1KH31 "RecName: Full=Peptidoglycan-binding protein ArfA; AltName: Full=Outer membrane protein A; Short=OmpATb; AltName: Full=Outer mem" 96.83 326 100.00 100.00 0.00e+00 SP P65594 "RecName: Full=Peptidoglycan-binding protein ArfA; AltName: Full=Outer membrane protein ArfA" 96.83 326 100.00 100.00 0.00e+00 SP P9WIU4 "RecName: Full=Peptidoglycan-binding protein ArfA; AltName: Full=Outer membrane porin A; AltName: Full=Outer membrane protein A;" 96.83 326 100.00 100.00 0.00e+00 SP P9WIU5 "RecName: Full=Peptidoglycan-binding protein ArfA; AltName: Full=Outer membrane porin A; AltName: Full=Outer membrane protein A;" 96.83 326 100.00 100.00 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Rv0899 'Mycobacterium tuberculosis' 1773 Bacteria . Mycobacterium tuberculosis 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 $Rv0899 'recombinant technology' . Escherichia coli . pET21a(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Rv0899 . mM 0.5 1 '[U-99% 13C; U-99% 15N]' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _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_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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' 0.05 . M pH 6.5 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 water H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 water N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D 1H-15N NOESY' 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 Rv0899 _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 61 11 GLY C C 173.701 0.004 1 2 61 11 GLY CA C 45.359 0.005 1 3 62 12 VAL H H 7.805 0.008 1 4 62 12 VAL HA H 3.848 0.003 1 5 62 12 VAL HB H 1.912 0.007 1 6 62 12 VAL HG1 H 0.784 0.010 2 7 62 12 VAL C C 176.013 0.009 1 8 62 12 VAL CA C 62.066 0.004 1 9 62 12 VAL CB C 32.452 0.001 1 10 62 12 VAL N N 119.985 0.005 1 11 63 13 LEU H H 8.233 0.007 1 12 63 13 LEU CA C 53.160 0.008 1 13 63 13 LEU CB C 41.717 0.004 1 14 63 13 LEU N N 128.591 0.008 1 15 64 14 PRO C C 176.820 0.004 1 16 64 14 PRO CA C 63.022 0.006 1 17 64 14 PRO CB C 32.291 0.005 1 18 64 14 PRO CG C 27.143 0.007 1 19 65 15 THR H H 8.038 0.006 1 20 65 15 THR HA H 4.660 0.004 1 21 65 15 THR HB H 4.324 0.005 1 22 65 15 THR C C 174.342 0.002 1 23 65 15 THR CA C 61.860 0.007 1 24 65 15 THR CB C 69.763 0.001 1 25 65 15 THR N N 115.441 0.001 1 26 66 16 LEU H H 8.175 0.006 1 27 66 16 LEU HA H 4.161 0.006 1 28 66 16 LEU HB2 H 1.508 0.009 2 29 66 16 LEU HG H 1.366 0.010 1 30 66 16 LEU C C 176.253 0.007 1 31 66 16 LEU CA C 55.124 0.100 1 32 66 16 LEU CB C 42.565 0.010 1 33 66 16 LEU CG C 27.188 0.009 1 34 66 16 LEU CD1 C 24.971 0.002 2 35 66 16 LEU CD2 C 24.006 0.002 2 36 66 16 LEU N N 125.897 0.008 1 37 67 17 THR H H 8.097 0.003 1 38 67 17 THR C C 173.630 0.100 1 39 67 17 THR CA C 61.778 0.005 1 40 67 17 THR CB C 63.325 0.002 1 41 67 17 THR N N 117.940 0.010 1 42 69 19 THR C C 177.527 0.007 1 43 69 19 THR CA C 62.326 0.005 1 44 69 19 THR CB C 70.267 0.100 1 45 70 20 SER H H 8.160 0.003 1 46 70 20 SER C C 176.235 0.004 1 47 70 20 SER CA C 61.655 0.005 1 48 70 20 SER CB C 69.653 0.005 1 49 70 20 SER N N 114.106 0.008 1 50 71 21 THR H H 8.141 0.009 1 51 71 21 THR C C 176.682 0.100 1 52 71 21 THR CA C 61.603 0.009 1 53 71 21 THR CB C 69.761 0.001 1 54 71 21 THR N N 118.480 0.004 1 55 73 23 GLY HA2 H 3.851 0.009 2 56 73 23 GLY C C 173.863 0.008 1 57 73 23 GLY CA C 45.165 0.006 1 58 74 24 ALA H H 8.091 0.002 1 59 74 24 ALA HB H 1.280 0.010 1 60 74 24 ALA C C 177.953 0.008 1 61 74 24 ALA CA C 52.772 0.005 1 62 74 24 ALA CB C 19.373 0.001 1 63 74 24 ALA N N 124.643 0.007 1 64 75 25 SER H H 8.159 0.006 1 65 75 25 SER HA H 3.747 0.005 1 66 75 25 SER HB2 H 1.291 0.004 2 67 75 25 SER C C 174.246 0.100 1 68 75 25 SER CA C 58.443 0.007 1 69 75 25 SER CB C 63.958 0.002 1 70 75 25 SER N N 115.725 0.002 1 71 76 26 ALA H H 8.132 0.006 1 72 76 26 ALA HA H 4.654 0.010 1 73 76 26 ALA HB H 1.259 0.010 1 74 76 26 ALA C C 177.295 0.008 1 75 76 26 ALA CA C 52.521 0.010 1 76 76 26 ALA CB C 19.415 0.010 1 77 76 26 ALA N N 126.523 0.009 1 78 77 27 LEU H H 7.987 0.002 1 79 77 27 LEU HA H 4.160 0.037 1 80 77 27 LEU HB2 H 1.482 0.003 2 81 77 27 LEU HB3 H 1.394 0.008 2 82 77 27 LEU HD1 H 0.765 0.010 2 83 77 27 LEU HD2 H 0.744 0.010 2 84 77 27 LEU C C 176.538 0.004 1 85 77 27 LEU CA C 55.143 0.004 1 86 77 27 LEU CB C 42.840 0.002 1 87 77 27 LEU CG C 27.138 0.003 1 88 77 27 LEU CD1 C 25.064 0.003 2 89 77 27 LEU CD2 C 23.937 0.001 2 90 77 27 LEU N N 122.115 0.151 1 91 78 28 SER H H 8.044 0.002 1 92 78 28 SER HA H 4.206 0.005 1 93 78 28 SER HB2 H 3.699 0.004 2 94 78 28 SER HB3 H 3.545 0.001 2 95 78 28 SER C C 173.640 0.005 1 96 78 28 SER CA C 57.165 0.100 1 97 78 28 SER CB C 63.643 0.007 1 98 78 28 SER N N 117.685 0.074 1 99 79 29 LEU H H 8.349 0.003 1 100 79 29 LEU HA H 4.204 0.002 1 101 79 29 LEU HB2 H 1.509 0.001 2 102 79 29 LEU HG H 1.248 0.002 1 103 79 29 LEU HD1 H 0.576 0.005 2 104 79 29 LEU HD2 H 0.452 0.003 2 105 79 29 LEU C C 178.093 0.001 1 106 79 29 LEU CA C 54.388 0.004 1 107 79 29 LEU CB C 42.478 0.005 1 108 79 29 LEU CD1 C 22.499 0.009 2 109 79 29 LEU CD2 C 26.005 0.007 2 110 79 29 LEU N N 124.624 0.087 1 111 80 30 SER H H 8.630 0.007 1 112 80 30 SER HA H 4.248 0.005 1 113 80 30 SER HB2 H 3.910 0.001 2 114 80 30 SER HB3 H 3.836 0.013 2 115 80 30 SER C C 172.413 0.007 1 116 80 30 SER CA C 59.250 0.010 1 117 80 30 SER CB C 64.525 0.008 1 118 80 30 SER N N 120.013 0.136 1 119 81 31 LEU H H 7.901 0.003 1 120 81 31 LEU HA H 4.693 0.012 1 121 81 31 LEU HB2 H 1.490 0.002 2 122 81 31 LEU HG H 1.474 0.002 1 123 81 31 LEU HD1 H 0.782 0.003 2 124 81 31 LEU C C 177.520 0.009 1 125 81 31 LEU CA C 55.566 0.006 1 126 81 31 LEU CB C 42.397 0.002 1 127 81 31 LEU CG C 27.493 0.009 1 128 81 31 LEU CD1 C 25.076 0.003 2 129 81 31 LEU CD2 C 24.232 0.005 2 130 81 31 LEU N N 122.501 0.089 1 131 82 32 LEU H H 8.183 0.002 1 132 82 32 LEU HA H 4.955 0.001 1 133 82 32 LEU HB2 H 1.732 0.003 2 134 82 32 LEU HB3 H 1.467 0.007 2 135 82 32 LEU HD1 H 0.734 0.001 2 136 82 32 LEU HD2 H 0.624 0.007 2 137 82 32 LEU C C 175.157 0.010 1 138 82 32 LEU CA C 54.172 0.007 1 139 82 32 LEU CB C 45.302 0.004 1 140 82 32 LEU CG C 27.855 0.005 1 141 82 32 LEU CD1 C 26.799 0.007 2 142 82 32 LEU CD2 C 23.945 0.008 2 143 82 32 LEU N N 127.837 0.075 1 144 83 33 SER H H 9.270 0.002 1 145 83 33 SER HA H 5.202 0.001 1 146 83 33 SER HB2 H 3.555 0.005 2 147 83 33 SER C C 172.499 0.001 1 148 83 33 SER CA C 56.946 0.009 1 149 83 33 SER CB C 65.423 0.008 1 150 83 33 SER N N 120.048 0.058 1 151 84 34 ILE H H 9.007 0.001 1 152 84 34 ILE HA H 4.765 0.007 1 153 84 34 ILE HB H 1.847 0.001 1 154 84 34 ILE HG2 H 0.854 0.010 1 155 84 34 ILE HD1 H 0.647 0.008 1 156 84 34 ILE C C 175.526 0.007 1 157 84 34 ILE CA C 60.087 0.005 1 158 84 34 ILE CB C 41.386 0.008 1 159 84 34 ILE CG1 C 27.544 0.008 1 160 84 34 ILE CG2 C 16.647 0.005 1 161 84 34 ILE CD1 C 16.353 0.001 1 162 84 34 ILE N N 127.665 0.060 1 163 85 35 SER H H 8.483 0.003 1 164 85 35 SER HA H 5.123 0.002 1 165 85 35 SER HB2 H 3.585 0.004 2 166 85 35 SER C C 172.823 0.002 1 167 85 35 SER CA C 56.931 0.008 1 168 85 35 SER CB C 65.145 0.007 1 169 85 35 SER N N 120.444 0.118 1 170 86 36 ARG H H 9.141 0.004 1 171 86 36 ARG HA H 4.966 0.011 1 172 86 36 ARG HB2 H 2.244 0.006 2 173 86 36 ARG HB3 H 1.559 0.003 2 174 86 36 ARG HG2 H 1.658 0.009 2 175 86 36 ARG HD2 H 3.248 0.007 2 176 86 36 ARG HD3 H 3.075 0.010 2 177 86 36 ARG C C 174.828 0.008 1 178 86 36 ARG CA C 54.993 0.005 1 179 86 36 ARG CB C 33.565 0.004 1 180 86 36 ARG CG C 26.805 0.100 1 181 86 36 ARG CD C 45.167 0.008 1 182 86 36 ARG N N 129.898 0.063 1 183 87 37 SER H H 8.420 0.004 1 184 87 37 SER HA H 4.678 0.001 1 185 87 37 SER HB2 H 3.593 0.005 2 186 87 37 SER C C 175.635 0.002 1 187 87 37 SER CA C 56.641 0.003 1 188 87 37 SER CB C 63.649 0.002 1 189 87 37 SER N N 119.388 0.098 1 190 88 38 GLY H H 9.298 0.002 1 191 88 38 GLY HA2 H 3.941 0.010 2 192 88 38 GLY HA3 H 3.671 0.010 2 193 88 38 GLY C C 174.921 0.003 1 194 88 38 GLY CA C 47.626 0.005 1 195 88 38 GLY N N 119.558 0.070 1 196 89 39 ASN HA H 4.889 0.010 1 197 89 39 ASN HB2 H 2.974 0.005 2 198 89 39 ASN HB3 H 2.823 0.005 2 199 89 39 ASN C C 173.570 0.003 1 200 89 39 ASN CA C 53.080 0.010 1 201 89 39 ASN CB C 38.686 0.005 1 202 90 40 THR H H 7.968 0.002 1 203 90 40 THR HA H 5.341 0.004 1 204 90 40 THR HB H 3.973 0.006 1 205 90 40 THR HG2 H 1.056 0.001 1 206 90 40 THR C C 174.083 0.010 1 207 90 40 THR CA C 61.558 0.003 1 208 90 40 THR CB C 72.103 0.100 1 209 90 40 THR CG2 C 22.058 0.001 1 210 90 40 THR N N 115.038 0.105 1 211 91 41 VAL H H 8.763 0.006 1 212 91 41 VAL HA H 4.718 0.011 1 213 91 41 VAL HB H 1.659 0.011 1 214 91 41 VAL HG1 H 0.607 0.005 2 215 91 41 VAL HG2 H 0.683 0.007 2 216 91 41 VAL C C 173.711 0.007 1 217 91 41 VAL CA C 61.239 0.003 1 218 91 41 VAL CB C 34.586 0.008 1 219 91 41 VAL CG1 C 21.340 0.006 2 220 91 41 VAL CG2 C 21.340 0.005 2 221 91 41 VAL N N 128.128 0.100 1 222 92 42 THR H H 8.976 0.003 1 223 92 42 THR HA H 4.833 0.003 1 224 92 42 THR HB H 3.791 0.002 1 225 92 42 THR HG2 H 1.012 0.010 1 226 92 42 THR C C 173.822 0.001 1 227 92 42 THR CA C 62.585 0.004 1 228 92 42 THR CB C 69.646 0.009 1 229 92 42 THR CG2 C 20.748 0.100 1 230 92 42 THR N N 125.117 0.106 1 231 93 43 LEU H H 8.684 0.004 1 232 93 43 LEU HA H 4.945 0.004 1 233 93 43 LEU HB2 H 1.960 0.006 2 234 93 43 LEU HG H 1.416 0.003 1 235 93 43 LEU HD1 H 0.597 0.010 2 236 93 43 LEU HD2 H 0.523 0.010 2 237 93 43 LEU C C 174.052 0.002 1 238 93 43 LEU CA C 53.180 0.006 1 239 93 43 LEU CB C 44.082 0.003 1 240 93 43 LEU CG C 26.362 0.100 1 241 93 43 LEU CD1 C 26.056 0.002 2 242 93 43 LEU N N 129.367 0.171 1 243 94 44 ILE H H 8.636 0.003 1 244 94 44 ILE HA H 4.077 0.001 1 245 94 44 ILE HB H 1.578 0.002 1 246 94 44 ILE HG12 H 1.266 0.009 2 247 94 44 ILE HG2 H 0.756 0.010 1 248 94 44 ILE HD1 H 0.613 0.010 1 249 94 44 ILE C C 174.446 0.003 1 250 94 44 ILE CA C 60.779 0.006 1 251 94 44 ILE CB C 42.074 0.004 1 252 94 44 ILE CG1 C 27.672 0.001 1 253 94 44 ILE CG2 C 17.052 0.008 1 254 94 44 ILE CD1 C 13.646 0.001 1 255 94 44 ILE N N 122.732 0.055 1 256 95 45 GLY H H 7.542 0.003 1 257 95 45 GLY HA2 H 4.511 0.005 2 258 95 45 GLY HA3 H 3.731 0.006 2 259 95 45 GLY C C 170.952 0.008 1 260 95 45 GLY CA C 44.688 0.100 1 261 95 45 GLY N N 114.473 0.057 1 262 96 46 ASP H H 7.690 0.010 1 263 96 46 ASP HA H 5.947 0.008 1 264 96 46 ASP HB2 H 2.306 0.001 2 265 96 46 ASP C C 174.507 0.005 1 266 96 46 ASP CA C 53.060 0.004 1 267 96 46 ASP CB C 44.254 0.010 1 268 96 46 ASP N N 118.119 0.070 1 269 97 47 PHE H H 8.680 0.003 1 270 97 47 PHE HA H 5.006 0.004 1 271 97 47 PHE HB2 H 2.416 0.001 2 272 97 47 PHE HD2 H 7.198 0.005 3 273 97 47 PHE C C 174.459 0.005 1 274 97 47 PHE CA C 54.470 0.006 1 275 97 47 PHE CB C 44.254 0.006 1 276 97 47 PHE N N 119.890 0.049 1 277 98 48 PRO HA H 4.976 0.010 1 278 98 48 PRO HB2 H 2.484 0.009 2 279 98 48 PRO HB3 H 1.878 0.008 2 280 98 48 PRO HG2 H 2.172 0.004 2 281 98 48 PRO HG3 H 1.956 0.010 2 282 98 48 PRO HD2 H 3.587 0.001 2 283 98 48 PRO C C 176.064 0.005 1 284 98 48 PRO CA C 63.341 0.100 1 285 98 48 PRO CB C 31.708 0.001 1 286 98 48 PRO CG C 27.276 0.003 1 287 98 48 PRO CD C 50.621 0.005 1 288 99 49 ASP H H 6.860 0.001 1 289 99 49 ASP HA H 4.369 0.001 1 290 99 49 ASP HB2 H 2.902 0.005 2 291 99 49 ASP C C 175.081 0.001 1 292 99 49 ASP CA C 52.602 0.002 1 293 99 49 ASP CB C 42.332 0.007 1 294 99 49 ASP N N 110.542 0.123 1 295 100 50 GLU H H 8.562 0.004 1 296 100 50 GLU HA H 3.828 0.006 1 297 100 50 GLU HB2 H 1.983 0.001 2 298 100 50 GLU HB3 H 1.837 0.001 2 299 100 50 GLU HG2 H 2.283 0.006 2 300 100 50 GLU HG3 H 2.225 0.010 2 301 100 50 GLU C C 178.991 0.005 1 302 100 50 GLU CA C 58.787 0.005 1 303 100 50 GLU CB C 29.184 0.010 1 304 100 50 GLU CG C 36.249 0.008 1 305 100 50 GLU N N 118.306 0.123 1 306 101 51 ALA H H 8.245 0.003 1 307 101 51 ALA HA H 4.046 0.010 1 308 101 51 ALA HB H 1.324 0.009 1 309 101 51 ALA C C 180.535 0.002 1 310 101 51 ALA CA C 55.006 0.005 1 311 101 51 ALA CB C 17.254 0.003 1 312 101 51 ALA N N 126.118 0.016 1 313 102 52 ALA H H 8.538 0.005 1 314 102 52 ALA HA H 4.034 0.004 1 315 102 52 ALA HB H 1.453 0.007 1 316 102 52 ALA C C 180.116 0.100 1 317 102 52 ALA CA C 54.720 0.002 1 318 102 52 ALA CB C 18.087 0.100 1 319 102 52 ALA N N 124.532 0.083 1 320 103 53 LYS H H 6.902 0.003 1 321 103 53 LYS HA H 4.563 0.003 1 322 103 53 LYS HB2 H 1.508 0.008 2 323 103 53 LYS HB3 H 1.455 0.006 2 324 103 53 LYS HG2 H 0.831 0.006 2 325 103 53 LYS HG3 H 0.783 0.010 2 326 103 53 LYS C C 176.731 0.010 1 327 103 53 LYS CA C 59.582 0.002 1 328 103 53 LYS CB C 32.366 0.100 1 329 103 53 LYS CG C 25.975 0.009 1 330 103 53 LYS CD C 29.573 0.005 1 331 103 53 LYS CE C 41.841 0.008 1 332 103 53 LYS N N 118.745 0.064 1 333 104 54 ALA H H 8.274 0.003 1 334 104 54 ALA HA H 3.849 0.006 1 335 104 54 ALA HB H 1.353 0.011 1 336 104 54 ALA C C 180.044 0.008 1 337 104 54 ALA CA C 54.800 0.001 1 338 104 54 ALA CB C 17.637 0.009 1 339 104 54 ALA N N 123.031 0.139 1 340 105 55 ALA H H 7.722 0.006 1 341 105 55 ALA HA H 4.059 0.004 1 342 105 55 ALA HB H 1.361 0.004 1 343 105 55 ALA C C 180.641 0.006 1 344 105 55 ALA CA C 54.777 0.004 1 345 105 55 ALA CB C 17.857 0.010 1 346 105 55 ALA N N 121.063 0.076 1 347 106 56 LEU H H 7.043 0.005 1 348 106 56 LEU HA H 3.846 0.008 1 349 106 56 LEU HB2 H 1.851 0.005 2 350 106 56 LEU HB3 H 1.020 0.009 2 351 106 56 LEU HG H 0.496 0.508 1 352 106 56 LEU HD1 H 0.505 0.001 2 353 106 56 LEU HD2 H -0.013 0.010 2 354 106 56 LEU C C 176.758 0.008 1 355 106 56 LEU CA C 58.305 0.005 1 356 106 56 LEU CB C 39.883 0.005 1 357 106 56 LEU CG C 26.777 0.008 1 358 106 56 LEU CD2 C 22.454 0.005 2 359 106 56 LEU N N 120.238 0.071 1 360 107 57 MET H H 7.752 0.003 1 361 107 57 MET HA H 3.868 0.010 1 362 107 57 MET HB2 H 2.023 0.008 2 363 107 57 MET HB3 H 1.800 0.003 2 364 107 57 MET HG2 H 2.517 0.005 2 365 107 57 MET HG3 H 2.469 0.010 2 366 107 57 MET C C 179.992 0.003 1 367 107 57 MET CA C 56.993 0.004 1 368 107 57 MET CB C 29.038 0.005 1 369 107 57 MET CG C 31.784 0.009 1 370 107 57 MET N N 116.057 0.065 1 371 108 58 THR H H 8.308 0.005 1 372 108 58 THR HA H 4.087 0.005 1 373 108 58 THR HB H 3.827 0.005 1 374 108 58 THR HG2 H 1.149 0.005 1 375 108 58 THR C C 176.896 0.001 1 376 108 58 THR CA C 66.621 0.002 1 377 108 58 THR CB C 68.953 0.009 1 378 108 58 THR CG2 C 21.931 0.004 1 379 108 58 THR N N 117.062 0.095 1 380 109 59 ALA H H 7.862 0.002 1 381 109 59 ALA HA H 3.993 0.006 1 382 109 59 ALA HB H 1.792 0.005 1 383 109 59 ALA C C 177.900 0.002 1 384 109 59 ALA CA C 55.558 0.007 1 385 109 59 ALA CB C 17.832 0.001 1 386 109 59 ALA N N 126.980 0.127 1 387 110 60 LEU H H 7.555 0.002 1 388 110 60 LEU HA H 3.508 0.005 1 389 110 60 LEU HB2 H 1.516 0.003 2 390 110 60 LEU HB3 H 1.039 0.023 2 391 110 60 LEU HG H 1.255 0.002 1 392 110 60 LEU HD1 H 0.348 0.010 2 393 110 60 LEU HD2 H -0.108 0.010 2 394 110 60 LEU C C 177.403 0.001 1 395 110 60 LEU CA C 54.793 0.009 1 396 110 60 LEU CB C 42.507 0.007 1 397 110 60 LEU CD1 C 26.121 0.005 2 398 110 60 LEU CD2 C 23.841 0.007 2 399 110 60 LEU N N 114.885 0.078 1 400 111 61 ASN H H 7.299 0.002 1 401 111 61 ASN HA H 4.043 0.006 1 402 111 61 ASN HB2 H 2.889 0.003 2 403 111 61 ASN HB3 H 2.660 0.002 2 404 111 61 ASN C C 176.597 0.003 1 405 111 61 ASN CA C 58.096 0.007 1 406 111 61 ASN CB C 39.941 0.010 1 407 111 61 ASN N N 118.254 0.145 1 408 112 62 GLY H H 9.013 0.002 1 409 112 62 GLY HA2 H 3.764 0.010 2 410 112 62 GLY HA3 H 3.509 0.005 2 411 112 62 GLY C C 174.452 0.002 1 412 112 62 GLY CA C 46.585 0.005 1 413 112 62 GLY N N 107.183 0.072 1 414 113 63 LEU H H 7.893 0.003 1 415 113 63 LEU HA H 4.257 0.002 1 416 113 63 LEU HB2 H 1.580 0.005 2 417 113 63 LEU HB3 H 1.482 0.002 2 418 113 63 LEU HG H 1.462 0.004 1 419 113 63 LEU HD1 H 0.781 0.010 2 420 113 63 LEU HD2 H 0.731 0.010 2 421 113 63 LEU C C 177.130 0.005 1 422 113 63 LEU CA C 54.954 0.007 1 423 113 63 LEU CB C 42.844 0.002 1 424 113 63 LEU CG C 27.621 0.002 1 425 113 63 LEU CD1 C 24.973 0.005 2 426 113 63 LEU CD2 C 23.926 0.008 2 427 113 63 LEU N N 117.917 0.073 1 428 114 64 LEU H H 7.268 0.002 1 429 114 64 LEU HA H 4.104 0.012 1 430 114 64 LEU HB2 H 1.632 0.004 2 431 114 64 LEU HB3 H 1.296 0.008 2 432 114 64 LEU HG H 1.513 0.009 1 433 114 64 LEU HD1 H 0.682 0.009 2 434 114 64 LEU HD2 H 0.436 0.001 2 435 114 64 LEU C C 175.875 0.007 1 436 114 64 LEU CA C 53.842 0.010 1 437 114 64 LEU CB C 39.209 0.005 1 438 114 64 LEU CD1 C 25.476 0.007 2 439 114 64 LEU CD2 C 22.190 0.006 2 440 114 64 LEU N N 121.268 0.080 1 441 115 65 ALA H H 6.943 0.001 1 442 115 65 ALA HA H 4.386 0.002 1 443 115 65 ALA HB H 1.241 0.003 1 444 115 65 ALA C C 174.669 0.005 1 445 115 65 ALA CA C 51.043 0.008 1 446 115 65 ALA CB C 18.211 0.004 1 447 115 65 ALA N N 125.388 0.036 1 448 116 66 PRO HA H 4.235 0.010 1 449 116 66 PRO HB2 H 2.182 0.010 2 450 116 66 PRO HB3 H 1.719 0.005 2 451 116 66 PRO HG2 H 2.033 0.004 2 452 116 66 PRO C C 177.778 0.009 1 453 116 66 PRO CA C 64.823 0.005 1 454 116 66 PRO CB C 31.355 0.003 1 455 116 66 PRO CG C 28.051 0.006 1 456 117 67 GLY H H 8.604 0.003 1 457 117 67 GLY HA2 H 4.107 0.004 2 458 117 67 GLY HA3 H 3.567 0.002 2 459 117 67 GLY C C 174.229 0.003 1 460 117 67 GLY CA C 45.152 0.005 1 461 117 67 GLY N N 112.914 0.066 1 462 118 68 VAL H H 7.683 0.002 1 463 118 68 VAL HA H 4.254 0.005 1 464 118 68 VAL HB H 2.042 0.006 1 465 118 68 VAL HG1 H 0.698 0.010 2 466 118 68 VAL HG2 H 0.853 0.010 2 467 118 68 VAL C C 175.705 0.005 1 468 118 68 VAL CA C 62.469 0.005 1 469 118 68 VAL CB C 32.312 0.010 1 470 118 68 VAL CG1 C 21.011 0.008 2 471 118 68 VAL CG2 C 22.770 0.007 2 472 118 68 VAL N N 122.626 0.065 1 473 119 69 ASN H H 8.745 0.003 1 474 119 69 ASN HA H 4.819 0.001 1 475 119 69 ASN HB2 H 2.631 0.009 2 476 119 69 ASN C C 173.256 0.008 1 477 119 69 ASN CA C 52.202 0.002 1 478 119 69 ASN CB C 40.813 0.009 1 479 119 69 ASN N N 127.142 0.032 1 480 120 70 VAL H H 8.442 0.002 1 481 120 70 VAL HA H 4.620 0.003 1 482 120 70 VAL HB H 1.838 0.001 1 483 120 70 VAL HG1 H 0.601 0.010 2 484 120 70 VAL HG2 H 0.700 0.003 2 485 120 70 VAL C C 175.930 0.006 1 486 120 70 VAL CA C 60.991 0.004 1 487 120 70 VAL CB C 33.485 0.006 1 488 120 70 VAL CG1 C 21.039 0.007 2 489 120 70 VAL CG2 C 22.501 0.010 2 490 120 70 VAL N N 124.384 0.070 1 491 121 71 ILE H H 9.131 0.003 1 492 121 71 ILE HA H 4.061 0.007 1 493 121 71 ILE HB H 1.967 0.005 1 494 121 71 ILE HG12 H 1.248 0.007 2 495 121 71 ILE HG13 H 0.995 0.002 2 496 121 71 ILE HG2 H 0.762 0.001 1 497 121 71 ILE HD1 H 0.634 0.010 1 498 121 71 ILE C C 173.698 0.007 1 499 121 71 ILE CA C 61.002 0.002 1 500 121 71 ILE CB C 36.997 0.002 1 501 121 71 ILE CG1 C 27.163 0.002 1 502 121 71 ILE CG2 C 17.251 0.006 1 503 121 71 ILE CD1 C 12.269 0.008 1 504 121 71 ILE N N 131.893 0.133 1 505 122 72 ASP H H 8.536 0.006 1 506 122 72 ASP HA H 4.510 0.007 1 507 122 72 ASP HB2 H 2.866 0.001 2 508 122 72 ASP HB3 H 2.201 0.001 2 509 122 72 ASP C C 176.159 0.006 1 510 122 72 ASP CA C 52.985 0.010 1 511 122 72 ASP CB C 41.108 0.001 1 512 122 72 ASP N N 127.554 0.113 1 513 123 73 GLN H H 8.673 0.010 1 514 123 73 GLN HA H 4.494 0.006 1 515 123 73 GLN HB2 H 2.290 0.002 2 516 123 73 GLN HB3 H 1.974 0.008 2 517 123 73 GLN HG2 H 2.167 0.002 2 518 123 73 GLN HG3 H 2.021 0.010 2 519 123 73 GLN C C 175.944 0.001 1 520 123 73 GLN CA C 54.404 0.008 1 521 123 73 GLN CB C 28.265 0.006 1 522 123 73 GLN CG C 33.898 0.003 1 523 123 73 GLN N N 127.803 0.030 1 524 124 74 ILE H H 8.187 0.006 1 525 124 74 ILE HA H 4.607 0.007 1 526 124 74 ILE HB H 1.851 0.005 1 527 124 74 ILE HG12 H 1.083 0.006 2 528 124 74 ILE HG13 H 0.857 0.010 2 529 124 74 ILE HG2 H 0.662 0.014 1 530 124 74 ILE HD1 H 0.347 0.001 1 531 124 74 ILE C C 177.089 0.005 1 532 124 74 ILE CA C 59.877 0.001 1 533 124 74 ILE CB C 36.431 0.006 1 534 124 74 ILE CG1 C 27.527 0.008 1 535 124 74 ILE CG2 C 18.675 0.003 1 536 124 74 ILE CD1 C 12.831 0.007 1 537 124 74 ILE N N 122.134 0.038 1 538 125 75 HIS H H 8.739 0.005 1 539 125 75 HIS HA H 4.922 0.003 1 540 125 75 HIS HB2 H 3.268 0.002 2 541 125 75 HIS CA C 53.537 0.002 1 542 125 75 HIS CB C 30.349 0.100 1 543 125 75 HIS N N 129.013 0.107 1 544 126 76 VAL H H 8.234 0.001 1 545 126 76 VAL HA H 4.833 0.009 1 546 126 76 VAL HB H 1.716 0.003 1 547 126 76 VAL HG2 H 0.592 0.010 2 548 126 76 VAL C C 175.817 0.002 1 549 126 76 VAL CA C 61.127 0.004 1 550 126 76 VAL CB C 32.201 0.002 1 551 126 76 VAL CG2 C 21.015 0.004 2 552 126 76 VAL N N 123.755 0.096 1 553 127 77 ASP H H 8.596 0.004 1 554 127 77 ASP HA H 4.835 0.006 1 555 127 77 ASP HB2 H 2.618 0.011 2 556 127 77 ASP HB3 H 2.300 0.004 2 557 127 77 ASP C C 174.570 0.002 1 558 127 77 ASP CA C 50.761 0.003 1 559 127 77 ASP CB C 43.763 0.007 1 560 127 77 ASP N N 128.537 0.035 1 561 128 78 PRO HA H 4.949 0.006 1 562 128 78 PRO HB2 H 2.374 0.010 2 563 128 78 PRO HB3 H 1.990 0.003 2 564 128 78 PRO HG2 H 1.918 0.001 2 565 128 78 PRO HD2 H 3.954 0.004 2 566 128 78 PRO HD3 H 2.374 0.010 2 567 128 78 PRO C C 177.831 0.001 1 568 128 78 PRO CA C 64.092 0.001 1 569 128 78 PRO CB C 32.714 0.001 1 570 128 78 PRO CG C 26.985 0.010 1 571 128 78 PRO CD C 51.450 0.009 1 572 129 79 VAL H H 7.506 0.003 1 573 129 79 VAL HA H 4.199 0.001 1 574 129 79 VAL HB H 2.197 0.002 1 575 129 79 VAL HG1 H 0.832 0.010 2 576 129 79 VAL HG2 H 0.817 0.010 2 577 129 79 VAL C C 177.221 0.004 1 578 129 79 VAL CA C 62.061 0.002 1 579 129 79 VAL CB C 31.893 0.007 1 580 129 79 VAL CG1 C 19.835 0.002 2 581 129 79 VAL CG2 C 21.034 0.009 2 582 129 79 VAL N N 113.671 0.048 1 583 130 80 VAL H H 7.297 0.002 1 584 130 80 VAL HA H 4.071 0.004 1 585 130 80 VAL HB H 2.095 0.002 1 586 130 80 VAL HG1 H 0.645 0.001 2 587 130 80 VAL HG2 H 0.727 0.005 2 588 130 80 VAL C C 174.453 0.009 1 589 130 80 VAL CA C 61.833 0.008 1 590 130 80 VAL CB C 32.528 0.006 1 591 130 80 VAL CG1 C 18.191 0.004 2 592 130 80 VAL CG2 C 21.564 0.006 2 593 130 80 VAL N N 117.070 0.079 1 594 131 81 ARG H H 8.102 0.008 1 595 131 81 ARG HA H 4.564 0.001 1 596 131 81 ARG HB2 H 1.602 0.003 2 597 131 81 ARG HG2 H 1.437 0.007 2 598 131 81 ARG HD2 H 3.084 0.003 2 599 131 81 ARG C C 175.090 0.006 1 600 131 81 ARG CA C 54.614 0.001 1 601 131 81 ARG CB C 32.062 0.005 1 602 131 81 ARG CG C 27.328 0.005 1 603 131 81 ARG CD C 43.291 0.007 1 604 131 81 ARG N N 120.855 0.132 1 605 132 82 SER H H 8.383 0.004 1 606 132 82 SER HA H 4.994 0.001 1 607 132 82 SER HB2 H 3.667 0.008 2 608 132 82 SER HB3 H 3.463 0.010 2 609 132 82 SER C C 173.585 0.007 1 610 132 82 SER CA C 56.967 0.008 1 611 132 82 SER CB C 67.176 0.007 1 612 132 82 SER N N 118.499 0.120 1 613 133 83 LEU H H 8.398 0.001 1 614 133 83 LEU HA H 3.747 0.005 1 615 133 83 LEU HB2 H 1.291 0.006 2 616 133 83 LEU HB3 H 0.826 0.003 2 617 133 83 LEU HG H 0.636 0.004 1 618 133 83 LEU HD1 H -0.052 0.002 2 619 133 83 LEU HD2 H -0.739 0.010 2 620 133 83 LEU C C 174.943 0.001 1 621 133 83 LEU CA C 55.083 0.006 1 622 133 83 LEU CB C 43.092 0.008 1 623 133 83 LEU CG C 25.232 0.010 1 624 133 83 LEU CD2 C 23.352 0.003 2 625 133 83 LEU N N 126.284 0.042 1 626 134 84 ASP H H 7.985 0.003 1 627 134 84 ASP HA H 4.665 0.010 1 628 134 84 ASP HB2 H 2.926 0.006 2 629 134 84 ASP HB3 H 2.743 0.010 2 630 134 84 ASP C C 178.137 0.005 1 631 134 84 ASP CA C 54.212 0.006 1 632 134 84 ASP CB C 41.948 0.005 1 633 134 84 ASP N N 123.719 0.081 1 634 135 85 PHE H H 8.920 0.002 1 635 135 85 PHE HA H 3.514 0.001 1 636 135 85 PHE HB2 H 2.681 0.010 2 637 135 85 PHE HD1 H 7.553 0.010 3 638 135 85 PHE C C 176.219 0.010 1 639 135 85 PHE CA C 59.724 0.008 1 640 135 85 PHE CB C 38.869 0.005 1 641 135 85 PHE N N 126.710 0.079 1 642 136 86 SER HA H 4.073 0.009 1 643 136 86 SER HB2 H 3.921 0.001 2 644 136 86 SER C C 175.764 0.004 1 645 136 86 SER CA C 62.318 0.005 1 646 137 87 SER H H 9.008 0.003 1 647 137 87 SER HA H 4.855 0.003 1 648 137 87 SER HB2 H 3.884 0.003 2 649 137 87 SER HB3 H 3.580 0.006 2 650 137 87 SER C C 174.326 0.004 1 651 137 87 SER CA C 57.162 0.005 1 652 137 87 SER CB C 63.292 0.004 1 653 137 87 SER N N 118.337 0.144 1 654 138 88 ALA H H 7.140 0.002 1 655 138 88 ALA HA H 4.059 0.019 1 656 138 88 ALA HB H 1.568 0.006 1 657 138 88 ALA C C 176.947 0.003 1 658 138 88 ALA CA C 52.300 0.005 1 659 138 88 ALA CB C 21.284 0.007 1 660 138 88 ALA N N 119.373 0.038 1 661 139 89 GLU H H 8.776 0.001 1 662 139 89 GLU HA H 4.818 0.004 1 663 139 89 GLU HB2 H 2.211 0.010 2 664 139 89 GLU C C 174.273 0.002 1 665 139 89 GLU CA C 61.591 0.002 1 666 139 89 GLU CB C 27.571 0.008 1 667 139 89 GLU N N 124.667 0.062 1 668 140 90 PRO HA H 4.051 0.005 1 669 140 90 PRO HB2 H 2.202 0.003 2 670 140 90 PRO HB3 H 1.358 0.004 2 671 140 90 PRO HG2 H 1.826 0.008 2 672 140 90 PRO HD2 H 3.513 0.009 2 673 140 90 PRO C C 179.786 0.009 1 674 140 90 PRO CA C 66.005 0.008 1 675 140 90 PRO CB C 31.760 0.004 1 676 140 90 PRO CG C 28.347 0.009 1 677 140 90 PRO CD C 50.444 0.004 1 678 141 91 VAL H H 7.380 0.003 1 679 141 91 VAL HA H 3.052 0.003 1 680 141 91 VAL HB H 1.603 0.007 1 681 141 91 VAL HG1 H 0.308 0.001 2 682 141 91 VAL HG2 H 0.421 0.005 2 683 141 91 VAL C C 176.082 0.002 1 684 141 91 VAL CA C 66.005 0.010 1 685 141 91 VAL CB C 31.760 0.010 1 686 141 91 VAL CG2 C 21.181 0.005 2 687 141 91 VAL N N 116.683 0.065 1 688 142 92 PHE H H 6.705 0.006 1 689 142 92 PHE HA H 4.133 0.007 1 690 142 92 PHE HB2 H 3.183 0.004 2 691 142 92 PHE HB3 H 2.911 0.001 2 692 142 92 PHE HD1 H 7.170 0.013 3 693 142 92 PHE C C 180.155 0.006 1 694 142 92 PHE CA C 60.725 0.004 1 695 142 92 PHE CB C 38.144 0.010 1 696 142 92 PHE N N 116.528 0.036 1 697 143 93 THR H H 9.161 0.002 1 698 143 93 THR HA H 3.786 0.001 1 699 143 93 THR HB H 3.898 0.012 1 700 143 93 THR HG2 H 1.082 0.008 1 701 143 93 THR C C 176.945 0.001 1 702 143 93 THR CA C 66.869 0.008 1 703 143 93 THR CB C 67.809 0.007 1 704 143 93 THR CG2 C 22.786 0.100 1 705 143 93 THR N N 121.792 0.039 1 706 144 94 ALA H H 7.412 0.006 1 707 144 94 ALA HA H 3.999 0.001 1 708 144 94 ALA HB H 1.184 0.002 1 709 144 94 ALA C C 177.081 0.001 1 710 144 94 ALA CA C 54.160 0.008 1 711 144 94 ALA CB C 17.218 0.008 1 712 144 94 ALA N N 123.345 0.095 1 713 145 95 SER H H 7.112 0.001 1 714 145 95 SER HA H 3.666 0.001 1 715 145 95 SER HB2 H 2.764 0.004 2 716 145 95 SER HB3 H 2.546 0.008 2 717 145 95 SER HG H 5.071 0.001 1 718 145 95 SER C C 174.293 0.005 1 719 145 95 SER CA C 59.835 0.001 1 720 145 95 SER CB C 62.776 0.100 1 721 145 95 SER N N 112.487 0.069 1 722 146 96 VAL H H 6.874 0.005 1 723 146 96 VAL HA H 3.420 0.001 1 724 146 96 VAL HB H 2.091 0.005 1 725 146 96 VAL HG1 H 0.842 0.003 2 726 146 96 VAL HG2 H 1.064 0.001 2 727 146 96 VAL C C 174.864 0.003 1 728 146 96 VAL CA C 68.218 0.100 1 729 146 96 VAL CB C 30.111 0.002 1 730 146 96 VAL N N 124.159 0.054 1 731 147 97 PRO HA H 4.420 0.002 1 732 147 97 PRO HG2 H 1.638 0.002 2 733 147 97 PRO HG3 H 1.498 0.010 2 734 147 97 PRO C C 174.233 0.003 1 735 147 97 PRO CA C 64.211 0.100 1 736 147 97 PRO CB C 31.905 0.009 1 737 148 98 ILE H H 8.144 0.003 1 738 148 98 ILE HB H 2.432 0.009 1 739 148 98 ILE HG2 H 1.067 0.004 1 740 148 98 ILE HD1 H 0.835 0.010 1 741 148 98 ILE C C 174.948 0.009 1 742 148 98 ILE CA C 58.380 0.007 1 743 148 98 ILE CB C 36.974 0.009 1 744 148 98 ILE N N 121.327 0.071 1 745 149 99 PRO HA H 4.170 0.001 1 746 149 99 PRO HB2 H 2.221 0.006 2 747 149 99 PRO HB3 H 1.941 0.006 2 748 149 99 PRO HG2 H 1.958 0.007 2 749 149 99 PRO HG3 H 1.835 0.010 2 750 149 99 PRO HD2 H 4.091 0.001 2 751 149 99 PRO C C 175.694 0.001 1 752 149 99 PRO CA C 65.308 0.001 1 753 149 99 PRO CB C 32.268 0.003 1 754 149 99 PRO CG C 26.973 0.009 1 755 150 100 ASP H H 8.937 0.002 1 756 150 100 ASP HA H 5.066 0.001 1 757 150 100 ASP HB2 H 3.048 0.003 2 758 150 100 ASP HB3 H 2.378 0.001 2 759 150 100 ASP C C 175.372 0.005 1 760 150 100 ASP CA C 51.603 0.003 1 761 150 100 ASP CB C 39.315 0.004 1 762 150 100 ASP N N 120.493 0.061 1 763 151 101 PHE H H 6.901 0.002 1 764 151 101 PHE HA H 4.681 0.003 1 765 151 101 PHE HB2 H 3.534 0.001 2 766 151 101 PHE HB3 H 2.631 0.010 2 767 151 101 PHE HD1 H 7.121 0.011 3 768 151 101 PHE C C 172.611 0.007 1 769 151 101 PHE CA C 58.514 0.003 1 770 151 101 PHE CB C 41.219 0.010 1 771 151 101 PHE N N 120.002 0.096 1 772 152 102 GLY H H 7.797 0.002 1 773 152 102 GLY HA2 H 3.101 0.004 2 774 152 102 GLY HA3 H 4.565 0.004 2 775 152 102 GLY C C 169.856 0.007 1 776 152 102 GLY CA C 43.813 0.100 1 777 152 102 GLY N N 115.186 0.056 1 778 153 103 LEU H H 8.262 0.002 1 779 153 103 LEU HA H 4.781 0.006 1 780 153 103 LEU HB2 H 1.449 0.010 2 781 153 103 LEU HG H 1.368 0.005 1 782 153 103 LEU HD1 H 0.697 0.010 2 783 153 103 LEU HD2 H 0.917 0.010 2 784 153 103 LEU C C 174.311 0.001 1 785 153 103 LEU CA C 54.740 0.004 1 786 153 103 LEU CB C 45.987 0.010 1 787 153 103 LEU CG C 27.765 0.009 1 788 153 103 LEU CD1 C 25.006 0.100 2 789 153 103 LEU N N 122.227 0.074 1 790 154 104 LYS H H 8.696 0.005 1 791 154 104 LYS HA H 5.346 0.005 1 792 154 104 LYS HB2 H 1.613 0.013 2 793 154 104 LYS HG2 H 1.332 0.009 2 794 154 104 LYS HG3 H 1.133 0.010 2 795 154 104 LYS HD2 H 1.771 0.009 2 796 154 104 LYS HD3 H 1.473 0.010 2 797 154 104 LYS HE2 H 2.723 0.002 2 798 154 104 LYS C C 174.779 0.005 1 799 154 104 LYS CA C 54.404 0.006 1 800 154 104 LYS CB C 36.206 0.003 1 801 154 104 LYS CG C 25.123 0.100 1 802 154 104 LYS CD C 29.447 0.008 1 803 154 104 LYS CE C 41.842 0.001 1 804 154 104 LYS N N 127.655 0.078 1 805 155 105 VAL H H 9.267 0.003 1 806 155 105 VAL HA H 4.681 0.010 1 807 155 105 VAL HB H 1.935 0.006 1 808 155 105 VAL HG2 H 0.687 0.002 2 809 155 105 VAL C C 174.156 0.008 1 810 155 105 VAL CA C 60.245 0.007 1 811 155 105 VAL CB C 34.083 0.008 1 812 155 105 VAL CG1 C 21.414 0.008 2 813 155 105 VAL CG2 C 22.848 0.009 2 814 155 105 VAL N N 127.844 0.028 1 815 156 106 GLU H H 8.093 0.004 1 816 156 106 GLU HA H 4.038 0.001 1 817 156 106 GLU HB2 H 1.850 0.002 2 818 156 106 GLU HG2 H 2.002 0.001 2 819 156 106 GLU C C 175.678 0.009 1 820 156 106 GLU CA C 56.921 0.001 1 821 156 106 GLU CB C 32.289 0.100 1 822 156 106 GLU CG C 36.215 0.009 1 823 156 106 GLU N N 123.634 0.127 1 824 157 107 ARG H H 8.945 0.006 1 825 157 107 ARG HA H 3.708 0.005 1 826 157 107 ARG HB2 H 2.052 0.002 2 827 157 107 ARG HB3 H 1.860 0.007 2 828 157 107 ARG HG2 H 1.525 0.003 2 829 157 107 ARG HD2 H 3.164 0.010 2 830 157 107 ARG C C 173.105 0.002 1 831 157 107 ARG CA C 59.816 0.003 1 832 157 107 ARG CB C 27.894 0.008 1 833 157 107 ARG CD C 43.363 0.004 1 834 157 107 ARG N N 123.894 0.040 1 835 158 108 ASP H H 8.226 0.002 1 836 158 108 ASP HA H 4.446 0.002 1 837 158 108 ASP HB2 H 3.111 0.004 2 838 158 108 ASP HB3 H 2.547 0.002 2 839 158 108 ASP C C 175.367 0.100 1 840 158 108 ASP CA C 52.992 0.002 1 841 158 108 ASP CB C 41.578 0.004 1 842 158 108 ASP N N 121.171 0.076 1 843 159 109 THR H H 7.985 0.002 1 844 159 109 THR HA H 5.178 0.004 1 845 159 109 THR HB H 3.923 0.003 1 846 159 109 THR HG1 H 1.513 0.001 1 847 159 109 THR HG2 H 0.959 0.003 1 848 159 109 THR C C 173.164 0.100 1 849 159 109 THR CA C 62.047 0.002 1 850 159 109 THR CB C 73.155 0.006 1 851 159 109 THR CG2 C 21.426 0.007 1 852 159 109 THR N N 115.984 0.055 1 853 160 110 VAL H H 9.025 0.006 1 854 160 110 VAL HA H 4.623 0.003 1 855 160 110 VAL HB H 1.925 0.002 1 856 160 110 VAL HG1 H 0.311 0.010 2 857 160 110 VAL HG2 H 0.603 0.005 2 858 160 110 VAL C C 174.380 0.003 1 859 160 110 VAL CA C 60.915 0.002 1 860 160 110 VAL CB C 33.740 0.010 1 861 160 110 VAL CG1 C 20.962 0.003 2 862 160 110 VAL CG2 C 21.197 0.001 2 863 160 110 VAL N N 128.697 0.114 1 864 161 111 THR H H 9.403 0.008 1 865 161 111 THR HA H 5.159 0.001 1 866 161 111 THR HB H 3.760 0.007 1 867 161 111 THR HG2 H 1.000 0.017 1 868 161 111 THR C C 174.299 0.009 1 869 161 111 THR CA C 62.120 0.008 1 870 161 111 THR CB C 69.780 0.006 1 871 161 111 THR CG2 C 21.377 0.007 1 872 161 111 THR N N 124.923 0.090 1 873 162 112 LEU H H 8.893 0.002 1 874 162 112 LEU HA H 5.143 0.009 1 875 162 112 LEU HB2 H 2.075 0.012 2 876 162 112 LEU HB3 H 1.442 0.011 2 877 162 112 LEU HG H 1.655 0.007 1 878 162 112 LEU HD1 H 0.824 0.011 2 879 162 112 LEU HD2 H 0.658 0.010 2 880 162 112 LEU C C 175.475 0.009 1 881 162 112 LEU CA C 52.883 0.007 1 882 162 112 LEU CB C 43.517 0.003 1 883 162 112 LEU CG C 26.685 0.003 1 884 162 112 LEU CD1 C 25.208 0.009 2 885 162 112 LEU CD2 C 23.375 0.001 2 886 162 112 LEU N N 129.464 0.085 1 887 163 113 THR H H 9.004 0.002 1 888 163 113 THR HA H 4.226 0.009 1 889 163 113 THR HB H 4.158 0.008 1 890 163 113 THR HG1 H 4.663 0.001 1 891 163 113 THR HG2 H 0.974 0.006 1 892 163 113 THR C C 172.693 0.001 1 893 163 113 THR CA C 60.208 0.006 1 894 163 113 THR CB C 72.512 0.003 1 895 163 113 THR CG2 C 23.185 0.007 1 896 163 113 THR N N 114.211 0.043 1 897 164 114 GLY H H 8.397 0.002 1 898 164 114 GLY HA2 H 3.409 0.004 2 899 164 114 GLY HA3 H 4.369 0.010 2 900 164 114 GLY C C 172.011 0.001 1 901 164 114 GLY CA C 43.698 0.004 1 902 164 114 GLY N N 108.281 0.070 1 903 165 115 THR HA H 4.700 0.013 1 904 165 115 THR HB H 4.044 0.002 1 905 165 115 THR HG2 H 0.954 0.001 1 906 165 115 THR C C 174.284 0.007 1 907 165 115 THR CA C 61.855 0.007 1 908 165 115 THR CB C 67.989 0.008 1 909 165 115 THR CG2 C 21.612 0.002 1 910 166 116 ALA H H 9.413 0.003 1 911 166 116 ALA HA H 4.793 0.002 1 912 166 116 ALA HB H 1.308 0.010 1 913 166 116 ALA C C 176.165 0.001 1 914 166 116 ALA CA C 48.681 0.003 1 915 166 116 ALA CB C 20.854 0.002 1 916 166 116 ALA N N 129.577 0.062 1 917 167 117 PRO HA H 4.498 0.007 1 918 167 117 PRO HB2 H 2.267 0.003 2 919 167 117 PRO HB3 H 1.916 0.005 2 920 167 117 PRO HG2 H 1.613 0.009 2 921 167 117 PRO HG3 H 1.512 0.010 2 922 167 117 PRO HD2 H 3.824 0.010 2 923 167 117 PRO HD3 H 3.212 0.010 2 924 167 117 PRO C C 176.021 0.004 1 925 167 117 PRO CA C 63.779 0.008 1 926 167 117 PRO CB C 32.301 0.004 1 927 167 117 PRO CG C 27.194 0.006 1 928 167 117 PRO CD C 50.903 0.009 1 929 168 118 SER H H 7.136 0.001 1 930 168 118 SER HA H 4.656 0.001 1 931 168 118 SER HB2 H 4.123 0.004 2 932 168 118 SER HB3 H 3.933 0.003 2 933 168 118 SER C C 174.822 0.009 1 934 168 118 SER CA C 57.401 0.006 1 935 168 118 SER CB C 66.450 0.006 1 936 168 118 SER N N 108.139 0.063 1 937 169 119 SER HA H 3.886 0.012 1 938 169 119 SER HB2 H 3.865 0.006 2 939 169 119 SER C C 175.880 0.006 1 940 169 119 SER CA C 62.293 0.009 1 941 170 120 GLU H H 8.576 0.001 1 942 170 120 GLU HA H 3.998 0.003 1 943 170 120 GLU HB2 H 1.804 0.002 2 944 170 120 GLU HB3 H 1.591 0.001 2 945 170 120 GLU HG2 H 2.092 0.008 2 946 170 120 GLU HG3 H 2.018 0.010 2 947 170 120 GLU C C 179.238 0.002 1 948 170 120 GLU CA C 59.919 0.003 1 949 170 120 GLU CB C 28.278 0.002 1 950 170 120 GLU CG C 36.050 0.003 1 951 170 120 GLU N N 123.754 0.068 1 952 171 121 HIS H H 7.479 0.003 1 953 171 121 HIS HA H 4.261 0.003 1 954 171 121 HIS HB2 H 3.003 0.002 2 955 171 121 HIS HB3 H 2.900 0.007 2 956 171 121 HIS C C 177.918 0.001 1 957 171 121 HIS CA C 60.299 0.002 1 958 171 121 HIS CB C 31.903 0.005 1 959 171 121 HIS N N 118.724 0.187 1 960 172 122 LYS H H 7.085 0.004 1 961 172 122 LYS HA H 3.739 0.004 1 962 172 122 LYS HB2 H 2.015 0.001 2 963 172 122 LYS HB3 H 1.413 0.007 2 964 172 122 LYS HG2 H 1.234 0.002 2 965 172 122 LYS HG3 H 1.177 0.010 2 966 172 122 LYS HD2 H 1.514 0.009 2 967 172 122 LYS HE2 H 2.888 0.010 2 968 172 122 LYS C C 177.414 0.006 1 969 172 122 LYS CA C 59.928 0.004 1 970 172 122 LYS CB C 33.181 0.003 1 971 172 122 LYS CG C 25.796 0.004 1 972 172 122 LYS CD C 30.416 0.004 1 973 172 122 LYS CE C 42.221 0.006 1 974 172 122 LYS N N 120.075 0.065 1 975 173 123 ASP H H 8.214 0.003 1 976 173 123 ASP HA H 4.284 0.001 1 977 173 123 ASP HB2 H 2.545 0.006 2 978 173 123 ASP HB3 H 2.487 0.009 2 979 173 123 ASP C C 178.442 0.003 1 980 173 123 ASP CA C 56.860 0.006 1 981 173 123 ASP CB C 40.484 0.001 1 982 173 123 ASP N N 119.184 0.067 1 983 174 124 ALA H H 8.135 0.004 1 984 174 124 ALA HA H 3.887 0.003 1 985 174 124 ALA HB H 1.458 0.001 1 986 174 124 ALA C C 181.169 0.005 1 987 174 124 ALA CA C 55.472 0.008 1 988 174 124 ALA CB C 18.568 0.009 1 989 174 124 ALA N N 122.645 0.059 1 990 175 125 VAL H H 7.245 0.003 1 991 175 125 VAL HA H 3.450 0.003 1 992 175 125 VAL HB H 1.843 0.008 1 993 175 125 VAL HG1 H 0.785 0.003 2 994 175 125 VAL HG2 H 0.932 0.001 2 995 175 125 VAL C C 176.953 0.010 1 996 175 125 VAL CA C 65.808 0.006 1 997 175 125 VAL CB C 31.540 0.003 1 998 175 125 VAL CG1 C 22.686 0.010 2 999 175 125 VAL CG2 C 22.686 0.007 2 1000 175 125 VAL N N 117.165 0.079 1 1001 176 126 LYS H H 6.953 0.004 1 1002 176 126 LYS HA H 3.670 0.008 1 1003 176 126 LYS HB2 H 1.996 0.002 2 1004 176 126 LYS HB3 H 1.840 0.007 2 1005 176 126 LYS HG2 H 1.678 0.003 2 1006 176 126 LYS HG3 H 1.563 0.010 2 1007 176 126 LYS HD2 H 1.366 0.004 2 1008 176 126 LYS HE2 H 2.891 0.009 2 1009 176 126 LYS HE3 H 2.872 0.010 2 1010 176 126 LYS C C 178.759 0.004 1 1011 176 126 LYS CA C 60.400 0.008 1 1012 176 126 LYS CB C 31.707 0.001 1 1013 176 126 LYS CG C 25.067 0.003 1 1014 176 126 LYS CD C 29.506 0.003 1 1015 176 126 LYS CE C 42.199 0.005 1 1016 176 126 LYS N N 121.053 0.056 1 1017 177 127 ARG H H 8.657 0.006 1 1018 177 127 ARG HA H 3.884 0.007 1 1019 177 127 ARG HB2 H 1.748 0.009 2 1020 177 127 ARG HB3 H 1.700 0.003 2 1021 177 127 ARG HG2 H 1.394 0.007 2 1022 177 127 ARG HD2 H 3.127 0.002 2 1023 177 127 ARG HD3 H 3.048 0.010 2 1024 177 127 ARG C C 178.857 0.001 1 1025 177 127 ARG CA C 59.756 0.005 1 1026 177 127 ARG CB C 30.123 0.009 1 1027 177 127 ARG CG C 27.772 0.001 1 1028 177 127 ARG CD C 43.561 0.010 1 1029 177 127 ARG N N 120.993 0.098 1 1030 178 128 ALA H H 7.543 0.004 1 1031 178 128 ALA HA H 3.954 0.007 1 1032 178 128 ALA HB H 1.096 0.010 1 1033 178 128 ALA C C 179.979 0.003 1 1034 178 128 ALA CA C 54.462 0.009 1 1035 178 128 ALA CB C 17.558 0.100 1 1036 178 128 ALA N N 121.479 0.088 1 1037 179 129 ALA H H 8.475 0.002 1 1038 179 129 ALA HA H 3.707 0.002 1 1039 179 129 ALA HB H 1.557 0.002 1 1040 179 129 ALA C C 177.996 0.002 1 1041 179 129 ALA CA C 55.388 0.006 1 1042 179 129 ALA CB C 17.914 0.002 1 1043 179 129 ALA N N 123.597 0.050 1 1044 180 130 THR H H 8.461 0.006 1 1045 180 130 THR HA H 3.912 0.001 1 1046 180 130 THR HB H 4.127 0.008 1 1047 180 130 THR HG2 H 1.218 0.010 1 1048 180 130 THR C C 175.938 0.008 1 1049 180 130 THR CA C 65.489 0.002 1 1050 180 130 THR CB C 69.269 0.003 1 1051 180 130 THR CG2 C 21.354 0.008 1 1052 180 130 THR N N 114.077 0.079 1 1053 181 131 SER H H 7.414 0.005 1 1054 181 131 SER HA H 4.029 0.004 1 1055 181 131 SER HB2 H 3.718 0.007 2 1056 181 131 SER C C 175.578 0.004 1 1057 181 131 SER CA C 60.640 0.007 1 1058 181 131 SER CB C 63.265 0.008 1 1059 181 131 SER N N 114.481 0.054 1 1060 182 132 THR H H 7.222 0.003 1 1061 182 132 THR HA H 3.375 0.005 1 1062 182 132 THR HB H 2.668 0.004 1 1063 182 132 THR HG1 H 4.255 0.007 1 1064 182 132 THR HG2 H -0.566 0.005 1 1065 182 132 THR C C 173.838 0.003 1 1066 182 132 THR CA C 66.204 0.007 1 1067 182 132 THR CB C 68.843 0.003 1 1068 182 132 THR CG2 C 18.583 0.004 1 1069 182 132 THR N N 119.005 0.106 1 1070 183 133 TRP H H 7.569 0.009 1 1071 183 133 TRP HA H 5.246 0.002 1 1072 183 133 TRP HB2 H 3.126 0.009 2 1073 183 133 TRP HB3 H 2.718 0.010 2 1074 183 133 TRP HD1 H 7.162 0.003 1 1075 183 133 TRP HE1 H 9.771 0.002 1 1076 183 133 TRP HZ2 H 6.372 0.006 1 1077 183 133 TRP C C 173.809 0.001 1 1078 183 133 TRP CA C 54.788 0.001 1 1079 183 133 TRP CB C 27.267 0.006 1 1080 183 133 TRP N N 119.401 0.044 1 1081 183 133 TRP NE1 N 130.178 0.044 1 1082 184 134 PRO HA H 4.554 0.003 1 1083 184 134 PRO HB2 H 2.288 0.002 2 1084 184 134 PRO HB3 H 1.883 0.001 2 1085 184 134 PRO HG2 H 1.814 0.002 2 1086 184 134 PRO HG3 H 1.789 0.010 2 1087 184 134 PRO HD2 H 3.207 0.006 2 1088 184 134 PRO C C 177.081 0.003 1 1089 184 134 PRO CA C 64.575 0.003 1 1090 184 134 PRO CB C 32.357 0.006 1 1091 184 134 PRO CG C 27.242 0.002 1 1092 184 134 PRO CD C 50.701 0.008 1 1093 185 135 ASP H H 8.508 0.001 1 1094 185 135 ASP HA H 4.582 0.001 1 1095 185 135 ASP HB2 H 2.632 0.004 2 1096 185 135 ASP HB3 H 2.590 0.003 2 1097 185 135 ASP C C 176.091 0.010 1 1098 185 135 ASP CA C 53.639 0.008 1 1099 185 135 ASP CB C 40.716 0.004 1 1100 185 135 ASP N N 115.756 0.061 1 1101 186 136 MET H H 7.258 0.004 1 1102 186 136 MET HA H 4.736 0.001 1 1103 186 136 MET HB2 H 2.279 0.001 2 1104 186 136 MET HB3 H 1.907 0.008 2 1105 186 136 MET C C 176.303 0.008 1 1106 186 136 MET CA C 52.732 0.001 1 1107 186 136 MET CB C 32.523 0.002 1 1108 186 136 MET N N 117.962 0.073 1 1109 187 137 LYS H H 8.337 0.007 1 1110 187 137 LYS HA H 4.298 0.001 1 1111 187 137 LYS HB2 H 1.804 0.006 2 1112 187 137 LYS HB3 H 1.642 0.003 2 1113 187 137 LYS HG2 H 1.507 0.005 2 1114 187 137 LYS HG3 H 1.383 0.010 2 1115 187 137 LYS HD2 H 1.209 0.006 2 1116 187 137 LYS HE2 H 2.804 0.001 2 1117 187 137 LYS C C 175.125 0.008 1 1118 187 137 LYS CA C 56.439 0.007 1 1119 187 137 LYS CB C 32.116 0.005 1 1120 187 137 LYS CG C 25.139 0.002 1 1121 187 137 LYS CD C 29.227 0.008 1 1122 187 137 LYS CE C 42.299 0.004 1 1123 187 137 LYS N N 123.059 0.150 1 1124 188 138 ILE H H 8.527 0.001 1 1125 188 138 ILE HA H 4.902 0.010 1 1126 188 138 ILE HB H 1.943 0.011 1 1127 188 138 ILE HG12 H 1.620 0.010 2 1128 188 138 ILE HG2 H 0.699 0.010 1 1129 188 138 ILE HD1 H 0.756 0.010 1 1130 188 138 ILE C C 176.175 0.002 1 1131 188 138 ILE CA C 58.291 0.010 1 1132 188 138 ILE CB C 36.632 0.005 1 1133 188 138 ILE CG1 C 27.619 0.004 1 1134 188 138 ILE CG2 C 17.846 0.004 1 1135 188 138 ILE CD1 C 11.116 0.010 1 1136 188 138 ILE N N 125.889 0.082 1 1137 189 139 VAL H H 9.379 0.004 1 1138 189 139 VAL HA H 3.970 0.001 1 1139 189 139 VAL HB H 2.040 0.016 1 1140 189 139 VAL HG1 H 0.735 0.010 2 1141 189 139 VAL HG2 H 0.761 0.010 2 1142 189 139 VAL C C 174.242 0.008 1 1143 189 139 VAL CA C 62.248 0.004 1 1144 189 139 VAL CB C 32.401 0.003 1 1145 189 139 VAL CG1 C 21.039 0.006 2 1146 189 139 VAL CG2 C 21.305 0.001 2 1147 189 139 VAL N N 132.635 0.080 1 1148 190 140 ASN H H 9.088 0.002 1 1149 190 140 ASN HA H 4.908 0.002 1 1150 190 140 ASN HB2 H 3.354 0.003 2 1151 190 140 ASN HB3 H 2.085 0.007 2 1152 190 140 ASN C C 173.745 0.007 1 1153 190 140 ASN CA C 51.174 0.001 1 1154 190 140 ASN CB C 38.305 0.006 1 1155 190 140 ASN N N 126.301 0.028 1 1156 191 141 ASN H H 8.775 0.002 1 1157 191 141 ASN HA H 5.049 0.010 1 1158 191 141 ASN HB2 H 3.172 0.006 2 1159 191 141 ASN HB3 H 2.599 0.006 2 1160 191 141 ASN C C 175.937 0.008 1 1161 191 141 ASN CA C 51.911 0.002 1 1162 191 141 ASN CB C 38.390 0.003 1 1163 191 141 ASN N N 125.374 0.145 1 1164 192 142 ILE H H 7.347 0.002 1 1165 192 142 ILE HA H 4.218 0.007 1 1166 192 142 ILE HB H 1.720 0.003 1 1167 192 142 ILE HG12 H 0.968 0.007 2 1168 192 142 ILE HG2 H 0.758 0.010 1 1169 192 142 ILE HD1 H 0.970 0.010 1 1170 192 142 ILE C C 175.060 0.002 1 1171 192 142 ILE CA C 62.752 0.002 1 1172 192 142 ILE CB C 38.450 0.001 1 1173 192 142 ILE CG1 C 29.763 0.005 1 1174 192 142 ILE CG2 C 18.643 0.004 1 1175 192 142 ILE CD1 C 14.270 0.007 1 1176 192 142 ILE N N 124.107 0.038 1 1177 193 143 GLU H H 9.049 0.004 1 1178 193 143 GLU HA H 4.620 0.007 1 1179 193 143 GLU HB2 H 2.003 0.001 2 1180 193 143 GLU HB3 H 1.811 0.007 2 1181 193 143 GLU HG2 H 2.269 0.002 2 1182 193 143 GLU HG3 H 2.140 0.010 2 1183 193 143 GLU C C 175.067 0.008 1 1184 193 143 GLU CA C 54.461 0.004 1 1185 193 143 GLU CB C 32.774 0.006 1 1186 193 143 GLU CG C 36.177 0.010 1 1187 193 143 GLU N N 129.154 0.078 1 1188 194 144 VAL H H 8.576 0.001 1 1189 194 144 VAL HA H 4.562 0.003 1 1190 194 144 VAL HB H 1.769 0.006 1 1191 194 144 VAL HG1 H 0.705 0.013 2 1192 194 144 VAL HG2 H 0.694 0.010 2 1193 194 144 VAL C C 177.523 0.006 1 1194 194 144 VAL CA C 61.367 0.006 1 1195 194 144 VAL CB C 32.875 0.005 1 1196 194 144 VAL CG1 C 21.289 0.009 2 1197 194 144 VAL CG2 C 22.482 0.006 2 1198 194 144 VAL N N 122.638 0.100 1 1199 195 145 THR H H 8.269 0.002 1 1200 195 145 THR HA H 4.046 0.003 1 1201 195 145 THR HB H 3.936 0.001 1 1202 195 145 THR HG2 H 1.102 0.010 1 1203 195 145 THR C C 174.470 0.002 1 1204 195 145 THR CA C 63.109 0.009 1 1205 195 145 THR CB C 69.555 0.003 1 1206 195 145 THR CG2 C 21.473 0.007 1 1207 195 145 THR N N 123.178 0.053 1 1208 196 146 GLY H H 8.351 0.008 1 1209 196 146 GLY HA2 H 3.901 0.010 2 1210 196 146 GLY C C 174.112 0.100 1 1211 196 146 GLY CA C 45.413 0.100 1 1212 196 146 GLY N N 113.591 0.054 1 1213 197 147 GLN H H 8.014 0.002 1 1214 197 147 GLN HA H 4.281 0.001 1 1215 197 147 GLN HB2 H 2.008 0.004 2 1216 197 147 GLN HB3 H 1.863 0.008 2 1217 197 147 GLN HG2 H 2.243 0.001 2 1218 197 147 GLN C C 175.341 0.005 1 1219 197 147 GLN CA C 55.479 0.003 1 1220 197 147 GLN CB C 29.994 0.007 1 1221 197 147 GLN CG C 33.714 0.100 1 1222 197 147 GLN N N 120.594 0.046 1 1223 198 148 ALA H H 8.303 0.001 1 1224 198 148 ALA C C 175.047 0.004 1 1225 198 148 ALA CA C 50.723 0.006 1 1226 198 148 ALA CB C 18.206 0.007 1 1227 198 148 ALA N N 128.172 0.011 1 1228 200 150 PRO HA H 4.333 0.007 1 1229 200 150 PRO HB2 H 2.178 0.007 2 1230 200 150 PRO HB3 H 1.856 0.005 2 1231 200 150 PRO HG2 H 1.924 0.003 2 1232 200 150 PRO HD2 H 3.708 0.003 2 1233 200 150 PRO HD3 H 1.924 0.010 2 1234 200 150 PRO C C 177.158 0.100 1 1235 200 150 PRO CA C 62.999 0.001 1 1236 200 150 PRO CB C 32.224 0.009 1 1237 200 150 PRO CG C 27.379 0.009 1 1238 200 150 PRO CD C 50.616 0.003 1 1239 201 151 GLY H H 8.092 0.001 1 1240 201 151 GLY C C 174.984 0.009 1 1241 201 151 GLY CA C 44.257 0.003 1 1242 201 151 GLY N N 109.666 0.045 1 1243 203 153 PRO HA H 4.325 0.008 1 1244 203 153 PRO HB2 H 2.197 0.001 2 1245 203 153 PRO HB3 H 1.793 0.009 2 1246 203 153 PRO HG2 H 1.898 0.004 2 1247 203 153 PRO HD2 H 3.687 0.008 2 1248 203 153 PRO HD3 H 3.502 0.010 2 1249 203 153 PRO C C 176.774 0.003 1 1250 203 153 PRO CA C 62.937 0.005 1 1251 203 153 PRO CB C 31.901 0.003 1 1252 203 153 PRO CG C 27.501 0.004 1 1253 203 153 PRO CD C 50.567 0.003 1 1254 204 154 ALA H H 8.358 0.002 1 1255 204 154 ALA HA H 4.207 0.010 1 1256 204 154 ALA HB H 1.276 0.010 1 1257 204 154 ALA C C 177.497 0.002 1 1258 204 154 ALA CA C 52.377 0.100 1 1259 204 154 ALA CB C 19.272 0.009 1 1260 204 154 ALA N N 125.052 0.045 1 1261 205 155 SER H H 8.083 0.001 1 1262 205 155 SER HA H 4.409 0.003 1 1263 205 155 SER HB2 H 3.739 0.005 2 1264 205 155 SER C C 174.498 0.005 1 1265 205 155 SER CA C 57.740 0.007 1 1266 205 155 SER CB C 64.502 0.005 1 1267 205 155 SER N N 114.977 0.091 1 1268 206 156 GLY H H 8.274 0.002 1 1269 206 156 GLY HA2 H 4.203 0.008 2 1270 206 156 GLY HA3 H 3.967 0.010 2 1271 206 156 GLY C C 173.461 0.002 1 1272 206 156 GLY CA C 45.107 0.009 1 1273 206 156 GLY N N 111.106 0.028 1 1274 207 157 PRO HA H 4.553 0.003 1 1275 207 157 PRO HB2 H 2.296 0.002 2 1276 207 157 PRO HB3 H 1.888 0.006 2 1277 207 157 PRO HG2 H 1.798 0.001 2 1278 207 157 PRO HD2 H 3.198 0.006 2 1279 207 157 PRO C C 177.081 0.006 1 1280 207 157 PRO CA C 64.889 0.002 1 1281 207 157 PRO CB C 32.305 0.008 1 1282 207 157 PRO CG C 27.201 0.009 1 1283 207 157 PRO CD C 50.695 0.001 1 1284 208 158 CYS H H 8.511 0.003 1 1285 208 158 CYS HA H 4.584 0.006 1 1286 208 158 CYS HB2 H 3.152 0.003 2 1287 208 158 CYS HB3 H 2.828 0.002 2 1288 208 158 CYS C C 174.844 0.005 1 1289 208 158 CYS CA C 53.720 0.007 1 1290 208 158 CYS CB C 41.431 0.002 1 1291 208 158 CYS N N 115.737 0.007 1 1292 209 159 ALA H H 7.432 0.001 1 1293 209 159 ALA HA H 4.002 0.009 1 1294 209 159 ALA HB H 1.217 0.010 1 1295 209 159 ALA C C 177.466 0.008 1 1296 209 159 ALA CA C 53.418 0.008 1 1297 209 159 ALA CB C 18.869 0.005 1 1298 209 159 ALA N N 124.464 0.054 1 1299 210 160 ASP HA H 4.541 0.007 1 1300 210 160 ASP HB2 H 2.788 0.004 2 1301 210 160 ASP HB3 H 2.386 0.001 2 1302 210 160 ASP C C 176.605 0.003 1 1303 210 160 ASP CA C 53.633 0.007 1 1304 210 160 ASP CB C 39.777 0.008 1 1305 211 161 LEU H H 7.477 0.001 1 1306 211 161 LEU HA H 3.998 0.002 1 1307 211 161 LEU HB2 H 1.567 0.010 2 1308 211 161 LEU HB3 H 1.539 0.005 2 1309 211 161 LEU HD1 H 0.833 0.010 2 1310 211 161 LEU C C 178.467 0.005 1 1311 211 161 LEU CA C 58.134 0.005 1 1312 211 161 LEU CB C 42.361 0.005 1 1313 211 161 LEU CG C 26.875 0.100 1 1314 211 161 LEU CD1 C 23.671 0.006 2 1315 211 161 LEU N N 121.472 0.039 1 1316 212 162 GLN H H 9.009 0.004 1 1317 212 162 GLN HA H 3.693 0.012 1 1318 212 162 GLN HB2 H 2.061 0.004 2 1319 212 162 GLN HG2 H 2.376 0.002 2 1320 212 162 GLN HG3 H 2.205 0.010 2 1321 212 162 GLN C C 178.446 0.007 1 1322 212 162 GLN CA C 59.309 0.007 1 1323 212 162 GLN CB C 28.710 0.001 1 1324 212 162 GLN CG C 34.060 0.009 1 1325 212 162 GLN N N 118.991 0.044 1 1326 213 163 SER H H 7.841 0.001 1 1327 213 163 SER HA H 4.087 0.002 1 1328 213 163 SER HB2 H 3.798 0.002 2 1329 213 163 SER C C 177.050 0.001 1 1330 213 163 SER CA C 61.551 0.010 1 1331 213 163 SER N N 115.541 0.084 1 1332 214 164 ALA H H 7.975 0.004 1 1333 214 164 ALA HA H 4.115 0.005 1 1334 214 164 ALA HB H 1.444 0.004 1 1335 214 164 ALA C C 180.928 0.006 1 1336 214 164 ALA CA C 55.047 0.005 1 1337 214 164 ALA CB C 18.754 0.002 1 1338 214 164 ALA N N 126.232 0.102 1 1339 215 165 ILE H H 8.504 0.001 1 1340 215 165 ILE HA H 3.605 0.011 1 1341 215 165 ILE HB H 1.945 0.004 1 1342 215 165 ILE HG12 H 1.101 0.005 2 1343 215 165 ILE HG2 H 0.844 0.001 1 1344 215 165 ILE HD1 H 0.606 0.010 1 1345 215 165 ILE C C 177.989 0.003 1 1346 215 165 ILE CA C 64.832 0.003 1 1347 215 165 ILE CB C 37.594 0.004 1 1348 215 165 ILE CG1 C 29.378 0.004 1 1349 215 165 ILE CG2 C 17.318 0.005 1 1350 215 165 ILE CD1 C 13.131 0.007 1 1351 215 165 ILE N N 118.957 0.116 1 1352 216 166 ASN H H 8.668 0.003 1 1353 216 166 ASN HA H 4.456 0.006 1 1354 216 166 ASN HB2 H 2.907 0.006 2 1355 216 166 ASN HB3 H 2.782 0.005 2 1356 216 166 ASN C C 178.416 0.009 1 1357 216 166 ASN CA C 55.469 0.004 1 1358 216 166 ASN CB C 37.011 0.002 1 1359 216 166 ASN N N 121.947 0.052 1 1360 217 167 ALA H H 7.967 0.003 1 1361 217 167 ALA HA H 4.114 0.001 1 1362 217 167 ALA HB H 1.436 0.002 1 1363 217 167 ALA C C 179.748 0.008 1 1364 217 167 ALA CA C 54.473 0.007 1 1365 217 167 ALA CB C 18.278 0.002 1 1366 217 167 ALA N N 123.285 0.062 1 1367 218 168 VAL H H 7.437 0.004 1 1368 218 168 VAL HA H 3.902 0.002 1 1369 218 168 VAL HB H 2.255 0.001 1 1370 218 168 VAL HG1 H 0.879 0.008 2 1371 218 168 VAL HG2 H 0.968 0.001 2 1372 218 168 VAL C C 177.659 0.004 1 1373 218 168 VAL CA C 64.476 0.006 1 1374 218 168 VAL CB C 32.236 0.004 1 1375 218 168 VAL CG1 C 22.034 0.008 2 1376 218 168 VAL CG2 C 23.457 0.005 2 1377 218 168 VAL N N 116.514 0.058 1 1378 219 169 THR H H 8.421 0.003 1 1379 219 169 THR HA H 4.075 0.009 1 1380 219 169 THR HB H 4.409 0.017 1 1381 219 169 THR HG1 H 5.884 0.001 1 1382 219 169 THR HG2 H 1.014 0.003 1 1383 219 169 THR C C 177.266 0.002 1 1384 219 169 THR CA C 63.434 0.004 1 1385 219 169 THR CB C 68.444 0.008 1 1386 219 169 THR CG2 C 22.723 0.008 1 1387 219 169 THR N N 109.545 0.084 1 1388 220 170 GLY H H 8.171 0.003 1 1389 220 170 GLY HA2 H 3.927 0.003 2 1390 220 170 GLY HA3 H 3.742 0.003 2 1391 220 170 GLY C C 173.794 0.009 1 1392 220 170 GLY CA C 46.206 0.002 1 1393 220 170 GLY N N 111.835 0.077 1 1394 221 171 GLY H H 7.857 0.003 1 1395 221 171 GLY HA2 H 4.415 0.010 2 1396 221 171 GLY HA3 H 4.556 0.010 2 1397 221 171 GLY C C 170.897 0.003 1 1398 221 171 GLY CA C 43.321 0.007 1 1399 221 171 GLY N N 108.641 0.071 1 1400 223 173 ILE C C 174.522 0.005 1 1401 223 173 ILE CA C 63.222 0.001 1 1402 223 173 ILE CB C 36.366 0.003 1 1403 224 174 ALA H H 8.256 0.009 1 1404 224 174 ALA CA C 59.858 0.001 1 1405 224 174 ALA N N 131.261 0.006 1 1406 229 179 GLY C C 176.063 0.007 1 1407 230 180 ALA H H 8.357 0.001 1 1408 230 180 ALA HB H 1.325 0.010 1 1409 230 180 ALA C C 177.434 0.010 1 1410 230 180 ALA CA C 53.562 0.002 1 1411 230 180 ALA CB C 19.048 0.007 1 1412 230 180 ALA N N 127.463 0.004 1 1413 231 181 SER H H 7.873 0.007 1 1414 231 181 SER C C 174.439 0.002 1 1415 231 181 SER CA C 57.716 0.009 1 1416 231 181 SER CB C 64.537 0.008 1 1417 231 181 SER N N 114.040 0.006 1 1418 238 188 GLU HA H 4.094 0.004 1 1419 238 188 GLU HB2 H 2.055 0.003 2 1420 238 188 GLU HG2 H 2.244 0.003 2 1421 238 188 GLU C C 179.738 0.008 1 1422 238 188 GLU CA C 59.344 0.002 1 1423 238 188 GLU CB C 28.435 0.010 1 1424 238 188 GLU CG C 35.872 0.001 1 1425 239 189 ILE H H 7.064 0.002 1 1426 239 189 ILE HA H 3.452 0.008 1 1427 239 189 ILE C C 178.205 0.009 1 1428 239 189 ILE CA C 65.417 0.006 1 1429 239 189 ILE CB C 38.203 0.008 1 1430 239 189 ILE N N 118.791 0.083 1 1431 240 190 LEU C C 178.705 0.002 1 1432 240 190 LEU CA C 57.725 0.003 1 1433 240 190 LEU CB C 41.459 0.007 1 1434 241 191 ASN H H 8.531 0.010 1 1435 241 191 ASN HA H 4.308 0.004 1 1436 241 191 ASN HB2 H 3.202 0.010 2 1437 241 191 ASN HB3 H 2.961 0.003 2 1438 241 191 ASN C C 178.308 0.003 1 1439 241 191 ASN CA C 55.978 0.009 1 1440 241 191 ASN CB C 36.901 0.010 1 1441 241 191 ASN N N 121.498 0.002 1 1442 242 192 ARG H H 7.665 0.003 1 1443 242 192 ARG HA H 4.144 0.004 1 1444 242 192 ARG HB2 H 1.941 0.005 2 1445 242 192 ARG HB3 H 1.689 0.008 2 1446 242 192 ARG HD2 H 3.148 0.009 2 1447 242 192 ARG C C 180.063 0.002 1 1448 242 192 ARG CA C 59.443 0.005 1 1449 242 192 ARG CB C 31.242 0.007 1 1450 242 192 ARG CG C 27.925 0.009 1 1451 242 192 ARG CD C 44.098 0.003 1 1452 242 192 ARG N N 120.727 0.069 1 1453 243 193 VAL H H 8.288 0.008 1 1454 243 193 VAL HA H 3.264 0.006 1 1455 243 193 VAL HB H 2.213 0.003 1 1456 243 193 VAL HG1 H 0.905 0.010 2 1457 243 193 VAL HG2 H 0.765 0.007 2 1458 243 193 VAL C C 177.479 0.009 1 1459 243 193 VAL CA C 67.315 0.009 1 1460 243 193 VAL CB C 31.310 0.006 1 1461 243 193 VAL CG1 C 24.472 0.005 2 1462 243 193 VAL CG2 C 21.715 0.006 2 1463 243 193 VAL N N 121.935 0.053 1 1464 244 194 ALA H H 8.521 0.009 1 1465 244 194 ALA HA H 3.659 0.007 1 1466 244 194 ALA HB H 1.420 0.006 1 1467 244 194 ALA C C 178.699 0.002 1 1468 244 194 ALA CA C 55.667 0.004 1 1469 244 194 ALA CB C 18.166 0.004 1 1470 244 194 ALA N N 121.674 0.086 1 1471 245 195 ASP H H 7.611 0.006 1 1472 245 195 ASP HA H 4.247 0.002 1 1473 245 195 ASP HB2 H 2.695 0.004 2 1474 245 195 ASP HB3 H 2.550 0.001 2 1475 245 195 ASP C C 179.450 0.004 1 1476 245 195 ASP CA C 57.623 0.002 1 1477 245 195 ASP CB C 40.073 0.005 1 1478 245 195 ASP N N 117.222 0.106 1 1479 246 196 LYS H H 7.411 0.003 1 1480 246 196 LYS HA H 3.978 0.006 1 1481 246 196 LYS HB2 H 1.965 0.001 2 1482 246 196 LYS HB3 H 1.561 0.004 2 1483 246 196 LYS HG2 H 1.210 0.006 2 1484 246 196 LYS HD2 H 1.394 0.009 2 1485 246 196 LYS HE2 H 2.826 0.002 2 1486 246 196 LYS C C 178.830 0.007 1 1487 246 196 LYS CA C 57.661 0.001 1 1488 246 196 LYS CB C 31.610 0.006 1 1489 246 196 LYS CG C 24.638 0.001 1 1490 246 196 LYS CD C 28.054 0.100 1 1491 246 196 LYS CE C 42.374 0.002 1 1492 246 196 LYS N N 119.362 0.061 1 1493 247 197 LEU H H 7.882 0.003 1 1494 247 197 LEU HA H 3.830 0.002 1 1495 247 197 LEU HB2 H 1.721 0.002 2 1496 247 197 LEU HG H 1.414 0.010 1 1497 247 197 LEU HD1 H 0.674 0.010 2 1498 247 197 LEU HD2 H 0.631 0.009 2 1499 247 197 LEU C C 179.899 0.004 1 1500 247 197 LEU CA C 57.839 0.009 1 1501 247 197 LEU CB C 41.591 0.004 1 1502 247 197 LEU CG C 26.952 0.003 1 1503 247 197 LEU CD1 C 22.739 0.001 2 1504 247 197 LEU N N 118.422 0.117 1 1505 248 198 LYS H H 8.505 0.003 1 1506 248 198 LYS HA H 3.808 0.002 1 1507 248 198 LYS HB2 H 1.676 0.002 2 1508 248 198 LYS HB3 H 1.608 0.001 2 1509 248 198 LYS HG2 H 1.271 0.006 2 1510 248 198 LYS HD2 H 1.511 0.005 2 1511 248 198 LYS HE2 H 2.884 0.006 2 1512 248 198 LYS HE3 H 2.793 0.010 2 1513 248 198 LYS C C 177.919 0.001 1 1514 248 198 LYS CA C 59.272 0.004 1 1515 248 198 LYS CB C 32.092 0.009 1 1516 248 198 LYS CG C 25.551 0.005 1 1517 248 198 LYS CD C 29.534 0.005 1 1518 248 198 LYS CE C 42.017 0.004 1 1519 248 198 LYS N N 118.816 0.162 1 1520 249 199 ALA H H 6.823 0.001 1 1521 249 199 ALA HA H 4.172 0.003 1 1522 249 199 ALA HB H 1.433 0.007 1 1523 249 199 ALA C C 176.553 0.006 1 1524 249 199 ALA CA C 52.665 0.010 1 1525 249 199 ALA CB C 18.993 0.008 1 1526 249 199 ALA N N 118.694 0.038 1 1527 250 200 CYS H H 7.262 0.003 1 1528 250 200 CYS HA H 4.995 0.004 1 1529 250 200 CYS HB2 H 3.090 0.003 2 1530 250 200 CYS HB3 H 2.461 0.003 2 1531 250 200 CYS CA C 65.808 0.005 1 1532 250 200 CYS CB C 42.394 0.010 1 1533 250 200 CYS N N 117.142 0.052 1 1534 251 201 PRO HA H 4.308 0.021 1 1535 251 201 PRO HB2 H 2.211 0.009 2 1536 251 201 PRO HG2 H 1.998 0.009 2 1537 251 201 PRO HD2 H 3.541 0.003 2 1538 251 201 PRO C C 178.178 0.001 1 1539 251 201 PRO CA C 64.364 0.010 1 1540 251 201 PRO CB C 32.518 0.009 1 1541 251 201 PRO CG C 27.224 0.006 1 1542 251 201 PRO CD C 50.056 0.008 1 1543 252 202 ASP H H 8.517 0.001 1 1544 252 202 ASP HA H 4.647 0.006 1 1545 252 202 ASP HB2 H 2.686 0.001 2 1546 252 202 ASP HB3 H 2.428 0.005 2 1547 252 202 ASP C C 176.776 0.006 1 1548 252 202 ASP CA C 54.460 0.007 1 1549 252 202 ASP CB C 41.336 0.009 1 1550 252 202 ASP N N 116.613 0.074 1 1551 253 203 ALA H H 8.023 0.002 1 1552 253 203 ALA HA H 4.166 0.003 1 1553 253 203 ALA HB H 1.243 0.005 1 1554 253 203 ALA C C 176.943 0.005 1 1555 253 203 ALA CA C 52.950 0.003 1 1556 253 203 ALA CB C 19.541 0.100 1 1557 253 203 ALA N N 123.836 0.071 1 1558 254 204 ARG H H 8.441 0.002 1 1559 254 204 ARG HA H 4.960 0.001 1 1560 254 204 ARG HD2 H 2.840 0.005 2 1561 254 204 ARG C C 175.648 0.100 1 1562 254 204 ARG CA C 54.586 0.005 1 1563 254 204 ARG CB C 32.246 0.007 1 1564 254 204 ARG CG C 28.384 0.100 1 1565 254 204 ARG CD C 42.929 0.002 1 1566 254 204 ARG N N 122.060 0.052 1 1567 255 205 VAL H H 8.540 0.003 1 1568 255 205 VAL HA H 5.046 0.008 1 1569 255 205 VAL HB H 1.836 0.003 1 1570 255 205 VAL HG1 H 0.687 0.003 2 1571 255 205 VAL C C 175.024 0.007 1 1572 255 205 VAL CA C 59.476 0.005 1 1573 255 205 VAL CB C 36.216 0.001 1 1574 255 205 VAL CG1 C 20.723 0.002 2 1575 255 205 VAL CG2 C 22.578 0.003 2 1576 255 205 VAL N N 116.658 0.072 1 1577 256 206 THR H H 9.433 0.003 1 1578 256 206 THR HA H 4.749 0.001 1 1579 256 206 THR HB H 3.785 0.002 1 1580 256 206 THR HG2 H 0.927 0.003 1 1581 256 206 THR C C 172.005 0.002 1 1582 256 206 THR CA C 62.016 0.010 1 1583 256 206 THR CB C 70.653 0.009 1 1584 256 206 THR CG2 C 21.916 0.005 1 1585 256 206 THR N N 124.365 0.049 1 1586 257 207 ILE H H 9.079 0.002 1 1587 257 207 ILE HA H 4.492 0.002 1 1588 257 207 ILE HB H 1.970 0.002 1 1589 257 207 ILE HG12 H 1.296 0.001 2 1590 257 207 ILE HG13 H 1.112 0.005 2 1591 257 207 ILE HG2 H 0.821 0.010 1 1592 257 207 ILE HD1 H 0.610 0.003 1 1593 257 207 ILE C C 173.447 0.004 1 1594 257 207 ILE CA C 59.559 0.003 1 1595 257 207 ILE CB C 36.525 0.005 1 1596 257 207 ILE CG1 C 27.373 0.009 1 1597 257 207 ILE CG2 C 19.470 0.005 1 1598 257 207 ILE CD1 C 12.711 0.005 1 1599 257 207 ILE N N 128.015 0.072 1 1600 258 208 ASN H H 8.726 0.004 1 1601 258 208 ASN HA H 5.397 0.052 1 1602 258 208 ASN HB2 H 2.586 0.010 2 1603 258 208 ASN HB3 H 2.002 0.005 2 1604 258 208 ASN C C 174.914 0.004 1 1605 258 208 ASN CA C 51.515 0.004 1 1606 258 208 ASN CB C 41.555 0.006 1 1607 258 208 ASN N N 126.676 0.062 1 1608 259 209 GLY H H 9.165 0.007 1 1609 259 209 GLY HA2 H 3.706 0.010 2 1610 259 209 GLY C C 171.612 0.002 1 1611 259 209 GLY CA C 44.226 0.004 1 1612 259 209 GLY N N 110.668 0.094 1 1613 262 212 ASP HA H 4.568 0.002 1 1614 262 212 ASP HB2 H 2.979 0.010 2 1615 262 212 ASP C C 173.955 0.002 1 1616 262 212 ASP CA C 54.134 0.006 1 1617 262 212 ASP CB C 41.565 0.006 1 1618 263 213 ASN H H 6.945 0.002 1 1619 263 213 ASN HA H 4.657 0.003 1 1620 263 213 ASN HB2 H 3.109 0.001 2 1621 263 213 ASN HB3 H 2.515 0.007 2 1622 263 213 ASN C C 176.667 0.003 1 1623 263 213 ASN CA C 52.410 0.003 1 1624 263 213 ASN CB C 38.071 0.008 1 1625 263 213 ASN N N 114.232 0.083 1 1626 264 214 THR H H 8.164 0.004 1 1627 264 214 THR HA H 4.085 0.003 1 1628 264 214 THR HB H 3.973 0.001 1 1629 264 214 THR HG2 H 1.098 0.010 1 1630 264 214 THR C C 175.229 0.010 1 1631 264 214 THR CA C 63.558 0.100 1 1632 264 214 THR CB C 69.709 0.100 1 1633 264 214 THR CG2 C 22.064 0.008 1 1634 264 214 THR N N 115.219 0.127 1 1635 265 215 GLY H H 8.162 0.003 1 1636 265 215 GLY HA2 H 3.885 0.008 2 1637 265 215 GLY HA3 H 3.864 0.006 2 1638 265 215 GLY C C 173.719 0.100 1 1639 265 215 GLY CA C 44.613 0.009 1 1640 265 215 GLY N N 109.709 0.063 1 1641 266 216 SER H H 7.740 0.005 1 1642 266 216 SER HA H 4.651 0.005 1 1643 266 216 SER C C 176.228 0.004 1 1644 266 216 SER CA C 57.150 0.003 1 1645 266 216 SER CB C 64.507 0.008 1 1646 266 216 SER N N 115.612 0.185 1 1647 267 217 GLU HA H 4.121 0.009 1 1648 267 217 GLU HB2 H 1.991 0.007 2 1649 267 217 GLU HG2 H 2.362 0.009 2 1650 267 217 GLU HG3 H 2.299 0.010 2 1651 267 217 GLU C C 177.862 0.008 1 1652 267 217 GLU CA C 59.485 0.002 1 1653 267 217 GLU CB C 28.853 0.003 1 1654 267 217 GLU CG C 35.791 0.003 1 1655 268 218 GLY H H 8.298 0.019 1 1656 268 218 GLY HA2 H 3.802 0.001 2 1657 268 218 GLY HA3 H 3.763 0.013 2 1658 268 218 GLY C C 175.370 0.008 1 1659 268 218 GLY CA C 46.013 0.002 1 1660 268 218 GLY N N 105.727 0.066 1 1661 269 219 ILE H H 7.124 0.002 1 1662 269 219 ILE HA H 4.081 0.008 1 1663 269 219 ILE HB H 1.864 0.013 1 1664 269 219 ILE HG12 H 1.385 0.004 2 1665 269 219 ILE HG13 H 1.139 0.004 2 1666 269 219 ILE HG2 H 0.793 0.023 1 1667 269 219 ILE HD1 H 0.736 0.010 1 1668 269 219 ILE C C 177.748 0.007 1 1669 269 219 ILE CA C 61.561 0.002 1 1670 269 219 ILE CB C 38.755 0.009 1 1671 269 219 ILE CG1 C 27.996 0.001 1 1672 269 219 ILE CG2 C 17.455 0.001 1 1673 269 219 ILE CD1 C 12.115 0.100 1 1674 269 219 ILE N N 119.247 0.061 1 1675 270 220 ASN H H 8.342 0.013 1 1676 270 220 ASN HA H 4.445 0.003 1 1677 270 220 ASN HB2 H 2.792 0.002 2 1678 270 220 ASN HB3 H 2.640 0.005 2 1679 270 220 ASN C C 178.377 0.004 1 1680 270 220 ASN CA C 55.646 0.003 1 1681 270 220 ASN CB C 38.375 0.004 1 1682 270 220 ASN N N 121.058 0.069 1 1683 271 221 ILE H H 8.573 0.004 1 1684 271 221 ILE HA H 4.106 0.010 1 1685 271 221 ILE HB H 1.973 0.004 1 1686 271 221 ILE HG12 H 1.679 0.010 2 1687 271 221 ILE HD1 H 0.757 0.004 1 1688 271 221 ILE C C 176.189 0.002 1 1689 271 221 ILE CA C 67.589 0.005 1 1690 271 221 ILE CB C 35.161 0.001 1 1691 271 221 ILE N N 120.960 0.135 1 1692 272 222 PRO HA H 4.331 0.006 1 1693 272 222 PRO HB2 H 2.172 0.006 2 1694 272 222 PRO HB3 H 1.843 0.002 2 1695 272 222 PRO HG2 H 1.907 0.003 2 1696 272 222 PRO HD2 H 3.419 0.003 2 1697 272 222 PRO C C 179.475 0.009 1 1698 272 222 PRO CA C 65.830 0.002 1 1699 272 222 PRO CB C 30.219 0.005 1 1700 272 222 PRO CG C 28.048 0.008 1 1701 273 223 LEU H H 7.602 0.003 1 1702 273 223 LEU HA H 4.115 0.002 1 1703 273 223 LEU HB2 H 1.644 0.006 2 1704 273 223 LEU HB3 H 1.562 0.001 2 1705 273 223 LEU HG H 1.361 0.004 1 1706 273 223 LEU HD1 H 0.778 0.003 2 1707 273 223 LEU C C 179.155 0.100 1 1708 273 223 LEU CA C 58.232 0.002 1 1709 273 223 LEU CB C 42.423 0.009 1 1710 273 223 LEU CG C 27.370 0.005 1 1711 273 223 LEU CD1 C 24.885 0.010 2 1712 273 223 LEU CD2 C 23.731 0.002 2 1713 273 223 LEU N N 120.628 0.062 1 1714 274 224 SER H H 8.298 0.003 1 1715 274 224 SER HG H 5.506 0.007 1 1716 274 224 SER C C 175.958 0.008 1 1717 274 224 SER CA C 61.551 0.010 1 1718 274 224 SER N N 115.862 0.067 1 1719 275 225 ALA H H 7.964 0.002 1 1720 275 225 ALA HA H 3.720 0.003 1 1721 275 225 ALA HB H 1.389 0.001 1 1722 275 225 ALA C C 179.727 0.010 1 1723 275 225 ALA CA C 54.671 0.005 1 1724 275 225 ALA CB C 17.995 0.009 1 1725 275 225 ALA N N 127.733 0.081 1 1726 276 226 GLN H H 8.023 0.004 1 1727 276 226 GLN HA H 3.963 0.018 1 1728 276 226 GLN HB2 H 2.103 0.001 2 1729 276 226 GLN HG2 H 2.397 0.009 2 1730 276 226 GLN HG3 H 2.278 0.010 2 1731 276 226 GLN C C 178.613 0.002 1 1732 276 226 GLN CA C 58.935 0.010 1 1733 276 226 GLN CB C 28.206 0.009 1 1734 276 226 GLN CG C 33.898 0.002 1 1735 276 226 GLN N N 121.256 0.089 1 1736 277 227 ARG H H 7.560 0.005 1 1737 277 227 ARG C C 176.994 0.100 1 1738 277 227 ARG CA C 60.664 0.009 1 1739 277 227 ARG N N 118.903 0.095 1 1740 278 228 ALA H H 7.225 0.002 1 1741 278 228 ALA HA H 3.854 0.021 1 1742 278 228 ALA HB H 1.233 0.002 1 1743 278 228 ALA C C 178.680 0.009 1 1744 278 228 ALA CA C 55.514 0.002 1 1745 278 228 ALA CB C 18.347 0.009 1 1746 278 228 ALA N N 119.561 0.060 1 1747 279 229 LYS H H 8.106 0.002 1 1748 279 229 LYS HA H 3.858 0.004 1 1749 279 229 LYS HB2 H 1.781 0.006 2 1750 279 229 LYS HB3 H 1.958 0.002 2 1751 279 229 LYS C C 177.351 0.002 1 1752 279 229 LYS CA C 59.350 0.009 1 1753 279 229 LYS CB C 32.401 0.005 1 1754 279 229 LYS N N 119.932 0.041 1 1755 280 230 ILE HA H 3.879 0.007 1 1756 280 230 ILE C C 179.633 0.005 1 1757 280 230 ILE CA C 64.672 0.008 1 1758 280 230 ILE CB C 38.083 0.002 1 1759 281 231 VAL H H 7.166 0.008 1 1760 281 231 VAL HA H 3.538 0.005 1 1761 281 231 VAL HB H 2.215 0.005 1 1762 281 231 VAL HG1 H 0.855 0.008 2 1763 281 231 VAL HG2 H 1.077 0.010 2 1764 281 231 VAL C C 176.767 0.001 1 1765 281 231 VAL CA C 66.970 0.003 1 1766 281 231 VAL CB C 31.645 0.008 1 1767 281 231 VAL CG1 C 21.321 0.004 2 1768 281 231 VAL CG2 C 24.024 0.008 2 1769 281 231 VAL N N 120.285 0.091 1 1770 282 232 ALA H H 8.527 0.005 1 1771 282 232 ALA HA H 3.713 0.003 1 1772 282 232 ALA HB H 1.366 0.012 1 1773 282 232 ALA C C 178.606 0.001 1 1774 282 232 ALA CA C 56.245 0.009 1 1775 282 232 ALA CB C 19.964 0.008 1 1776 282 232 ALA N N 123.876 0.075 1 1777 283 233 ASP H H 9.214 0.003 1 1778 283 233 ASP HA H 4.177 0.016 1 1779 283 233 ASP HB2 H 2.750 0.010 2 1780 283 233 ASP HB3 H 2.504 0.002 2 1781 283 233 ASP C C 179.459 0.007 1 1782 283 233 ASP CA C 56.940 0.100 1 1783 283 233 ASP CB C 39.946 0.003 1 1784 283 233 ASP N N 117.098 0.086 1 1785 284 234 TYR H H 7.686 0.002 1 1786 284 234 TYR HA H 4.094 0.002 1 1787 284 234 TYR HB2 H 3.201 0.001 2 1788 284 234 TYR HB3 H 3.058 0.010 2 1789 284 234 TYR C C 177.206 0.008 1 1790 284 234 TYR CA C 62.266 0.009 1 1791 284 234 TYR CB C 38.530 0.010 1 1792 284 234 TYR N N 123.651 0.047 1 1793 285 235 LEU H H 8.140 0.004 1 1794 285 235 LEU HA H 3.707 0.006 1 1795 285 235 LEU HB2 H 2.098 0.003 2 1796 285 235 LEU HB3 H 0.973 0.007 2 1797 285 235 LEU HG H 1.110 0.003 1 1798 285 235 LEU HD1 H 0.649 0.010 2 1799 285 235 LEU HD2 H 0.793 0.010 2 1800 285 235 LEU C C 179.749 0.009 1 1801 285 235 LEU CA C 58.426 0.009 1 1802 285 235 LEU CB C 40.653 0.001 1 1803 285 235 LEU CG C 26.017 0.005 1 1804 285 235 LEU CD1 C 23.615 0.007 2 1805 285 235 LEU N N 118.589 0.044 1 1806 286 236 VAL H H 8.354 0.005 1 1807 286 236 VAL HA H 4.298 0.005 1 1808 286 236 VAL HB H 1.994 0.010 1 1809 286 236 VAL HG1 H 0.857 0.012 2 1810 286 236 VAL HG2 H 0.945 0.013 2 1811 286 236 VAL C C 181.025 0.002 1 1812 286 236 VAL CA C 65.286 0.006 1 1813 286 236 VAL CB C 31.912 0.001 1 1814 286 236 VAL CG1 C 21.031 0.007 2 1815 286 236 VAL CG2 C 23.625 0.004 2 1816 286 236 VAL N N 121.578 0.108 1 1817 287 237 ALA H H 7.878 0.004 1 1818 287 237 ALA HA H 3.980 0.010 1 1819 287 237 ALA HB H 1.268 0.001 1 1820 287 237 ALA C C 179.706 0.004 1 1821 287 237 ALA CA C 54.673 0.003 1 1822 287 237 ALA CB C 17.163 0.009 1 1823 287 237 ALA N N 126.358 0.105 1 1824 288 238 ARG H H 7.307 0.002 1 1825 288 238 ARG HA H 4.077 0.002 1 1826 288 238 ARG HB2 H 2.023 0.003 2 1827 288 238 ARG HB3 H 2.783 0.008 2 1828 288 238 ARG HG2 H 1.672 0.008 2 1829 288 238 ARG HG3 H 1.384 0.002 2 1830 288 238 ARG HD2 H 2.809 0.001 2 1831 288 238 ARG HD3 H 2.732 0.010 2 1832 288 238 ARG C C 176.123 0.009 1 1833 288 238 ARG CA C 53.617 0.009 1 1834 288 238 ARG CB C 28.996 0.008 1 1835 288 238 ARG CG C 25.237 0.008 1 1836 288 238 ARG CD C 40.679 0.003 1 1837 288 238 ARG N N 115.530 0.055 1 1838 289 239 GLY H H 7.776 0.001 1 1839 289 239 GLY HA2 H 4.212 0.005 2 1840 289 239 GLY HA3 H 3.548 0.001 2 1841 289 239 GLY C C 174.758 0.007 1 1842 289 239 GLY CA C 45.124 0.004 1 1843 289 239 GLY N N 106.568 0.043 1 1844 290 240 VAL H H 7.892 0.003 1 1845 290 240 VAL HA H 3.558 0.002 1 1846 290 240 VAL HB H 1.368 0.010 1 1847 290 240 VAL HG2 H 0.817 0.015 2 1848 290 240 VAL C C 175.009 0.004 1 1849 290 240 VAL CA C 63.319 0.007 1 1850 290 240 VAL CB C 31.357 0.001 1 1851 290 240 VAL CG1 C 21.678 0.003 2 1852 290 240 VAL CG2 C 24.533 0.002 2 1853 290 240 VAL N N 124.851 0.166 1 1854 291 241 ALA H H 8.213 0.010 1 1855 291 241 ALA HA H 4.034 0.007 1 1856 291 241 ALA HB H 1.119 0.001 1 1857 291 241 ALA C C 179.814 0.002 1 1858 291 241 ALA CA C 53.034 0.003 1 1859 291 241 ALA CB C 18.757 0.004 1 1860 291 241 ALA N N 131.323 0.039 1 1861 292 242 GLY H H 8.790 0.001 1 1862 292 242 GLY HA2 H 3.812 0.012 2 1863 292 242 GLY HA3 H 3.578 0.002 2 1864 292 242 GLY C C 175.723 0.004 1 1865 292 242 GLY CA C 47.656 0.005 1 1866 292 242 GLY N N 112.827 0.020 1 1867 293 243 ASP H H 8.272 0.003 1 1868 293 243 ASP HA H 4.567 0.003 1 1869 293 243 ASP HB2 H 2.871 0.004 2 1870 293 243 ASP HB3 H 2.594 0.009 2 1871 293 243 ASP C C 177.046 0.007 1 1872 293 243 ASP CA C 54.248 0.004 1 1873 293 243 ASP CB C 39.012 0.100 1 1874 293 243 ASP N N 116.616 0.077 1 1875 294 244 HIS H H 8.139 0.002 1 1876 294 244 HIS HA H 4.563 0.003 1 1877 294 244 HIS HB2 H 3.944 0.003 2 1878 294 244 HIS HB3 H 3.187 0.007 2 1879 294 244 HIS C C 171.961 0.004 1 1880 294 244 HIS CA C 55.383 0.005 1 1881 294 244 HIS CB C 28.148 0.003 1 1882 294 244 HIS N N 118.563 0.086 1 1883 295 245 ILE H H 7.312 0.002 1 1884 295 245 ILE HA H 4.771 0.004 1 1885 295 245 ILE HB H 1.620 0.002 1 1886 295 245 ILE HD1 H 0.664 0.010 1 1887 295 245 ILE C C 174.212 0.006 1 1888 295 245 ILE CA C 60.663 0.006 1 1889 295 245 ILE CB C 41.358 0.007 1 1890 295 245 ILE CG1 C 26.845 0.006 1 1891 295 245 ILE CG2 C 18.371 0.004 1 1892 295 245 ILE CD1 C 15.183 0.005 1 1893 295 245 ILE N N 119.368 0.154 1 1894 296 246 ALA H H 8.539 0.006 1 1895 296 246 ALA HA H 4.786 0.003 1 1896 296 246 ALA HB H 1.308 0.010 1 1897 296 246 ALA C C 176.228 0.004 1 1898 296 246 ALA CA C 50.339 0.006 1 1899 296 246 ALA CB C 21.911 0.008 1 1900 296 246 ALA N N 131.120 0.134 1 1901 297 247 THR H H 8.363 0.002 1 1902 297 247 THR HA H 5.043 0.008 1 1903 297 247 THR HB H 3.865 0.010 1 1904 297 247 THR HG2 H 0.893 0.008 1 1905 297 247 THR C C 174.198 0.002 1 1906 297 247 THR CA C 59.825 0.004 1 1907 297 247 THR CB C 70.806 0.100 1 1908 297 247 THR CG2 C 23.086 0.007 1 1909 297 247 THR N N 113.093 0.117 1 1910 298 248 VAL H H 8.617 0.004 1 1911 298 248 VAL HA H 4.091 0.002 1 1912 298 248 VAL HB H 2.184 0.003 1 1913 298 248 VAL HG2 H 0.661 0.008 2 1914 298 248 VAL C C 174.273 0.007 1 1915 298 248 VAL CA C 61.701 0.008 1 1916 298 248 VAL CB C 35.455 0.001 1 1917 298 248 VAL CG2 C 21.449 0.006 2 1918 298 248 VAL N N 124.457 0.070 1 1919 299 249 GLY H H 8.482 0.001 1 1920 299 249 GLY HA2 H 3.671 0.009 2 1921 299 249 GLY HA3 H 3.112 0.002 2 1922 299 249 GLY C C 172.722 0.004 1 1923 299 249 GLY CA C 45.591 0.006 1 1924 299 249 GLY N N 114.300 0.057 1 1925 300 250 LEU H H 8.401 0.006 1 1926 300 250 LEU HA H 4.210 0.005 1 1927 300 250 LEU HB2 H 1.320 0.015 2 1928 300 250 LEU HB3 H 1.027 0.010 2 1929 300 250 LEU HD1 H 0.464 0.010 2 1930 300 250 LEU HD2 H 0.600 0.010 2 1931 300 250 LEU C C 178.317 0.002 1 1932 300 250 LEU CA C 54.544 0.004 1 1933 300 250 LEU CB C 41.927 0.009 1 1934 300 250 LEU N N 126.254 0.057 1 1935 301 251 GLY H H 8.614 0.009 1 1936 301 251 GLY HA2 H 3.971 0.007 2 1937 301 251 GLY HA3 H 3.004 0.006 2 1938 301 251 GLY C C 174.107 0.004 1 1939 301 251 GLY CA C 46.409 0.005 1 1940 301 251 GLY N N 109.608 0.032 1 1941 302 252 SER H H 9.565 0.003 1 1942 302 252 SER HA H 4.534 0.003 1 1943 302 252 SER HB2 H 3.819 0.008 2 1944 302 252 SER HB3 H 3.587 0.003 2 1945 302 252 SER HG H 4.664 0.005 1 1946 302 252 SER C C 176.026 0.009 1 1947 302 252 SER CA C 58.221 0.003 1 1948 302 252 SER CB C 64.385 0.003 1 1949 302 252 SER N N 120.967 0.056 1 1950 303 253 VAL H H 6.891 0.009 1 1951 303 253 VAL HA H 4.030 0.006 1 1952 303 253 VAL HB H 2.196 0.001 1 1953 303 253 VAL HG1 H 0.999 0.010 2 1954 303 253 VAL HG2 H 1.008 0.001 2 1955 303 253 VAL C C 173.426 0.006 1 1956 303 253 VAL CA C 61.415 0.009 1 1957 303 253 VAL CB C 32.524 0.003 1 1958 303 253 VAL CG1 C 19.872 0.003 2 1959 303 253 VAL CG2 C 21.544 0.008 2 1960 303 253 VAL N N 118.832 0.107 1 1961 304 254 ASN H H 8.573 0.001 1 1962 304 254 ASN HA H 4.247 0.008 1 1963 304 254 ASN HB2 H 2.886 0.008 2 1964 304 254 ASN HB3 H 2.542 0.005 2 1965 304 254 ASN C C 171.337 0.004 1 1966 304 254 ASN CA C 53.033 0.008 1 1967 304 254 ASN CB C 38.389 0.001 1 1968 304 254 ASN N N 115.446 0.108 1 1969 305 255 PRO HA H 4.209 0.004 1 1970 305 255 PRO HD2 H 3.564 0.010 2 1971 305 255 PRO CA C 63.862 0.005 1 1972 305 255 PRO CB C 31.067 0.005 1 1973 305 255 PRO CG C 27.712 0.010 1 1974 306 256 ILE H H 7.807 0.004 1 1975 306 256 ILE HA H 4.121 0.003 1 1976 306 256 ILE HB H 1.693 0.005 1 1977 306 256 ILE HG12 H 1.243 0.001 2 1978 306 256 ILE HG13 H 1.017 0.010 2 1979 306 256 ILE HG2 H 0.645 0.010 1 1980 306 256 ILE HD1 H 0.768 0.010 1 1981 306 256 ILE C C 175.018 0.002 1 1982 306 256 ILE CA C 60.704 0.009 1 1983 306 256 ILE CB C 39.318 0.001 1 1984 306 256 ILE CG1 C 27.175 0.006 1 1985 306 256 ILE CG2 C 17.261 0.001 1 1986 306 256 ILE CD1 C 12.292 0.002 1 1987 306 256 ILE N N 117.531 0.008 1 1988 307 257 ALA H H 8.548 0.002 1 1989 307 257 ALA HA H 4.195 0.001 1 1990 307 257 ALA HB H 1.199 0.010 1 1991 307 257 ALA CA C 50.220 0.007 1 1992 307 257 ALA CB C 23.571 0.007 1 1993 307 257 ALA N N 127.893 0.107 1 1994 308 258 SER HA H 4.146 0.010 1 1995 308 258 SER C C 175.878 0.009 1 1996 308 258 SER CA C 57.941 0.009 1 1997 308 258 SER CB C 63.578 0.004 1 1998 309 259 ASN H H 8.450 0.001 1 1999 309 259 ASN HA H 4.663 0.004 1 2000 309 259 ASN HB2 H 3.049 0.008 2 2001 309 259 ASN HB3 H 2.381 0.004 2 2002 309 259 ASN C C 175.472 0.004 1 2003 309 259 ASN CA C 54.362 0.001 1 2004 309 259 ASN CB C 39.593 0.100 1 2005 309 259 ASN N N 124.293 0.069 1 2006 310 260 ALA H H 8.402 0.002 1 2007 310 260 ALA HA H 4.134 0.001 1 2008 310 260 ALA HB H 1.332 0.002 1 2009 310 260 ALA C C 177.304 0.006 1 2010 310 260 ALA CA C 53.961 0.007 1 2011 310 260 ALA CB C 19.651 0.004 1 2012 310 260 ALA N N 122.950 0.058 1 2013 311 261 THR H H 7.076 0.002 1 2014 311 261 THR HA H 4.904 0.014 1 2015 311 261 THR HB H 4.533 0.003 1 2016 311 261 THR HG2 H 1.101 0.001 1 2017 311 261 THR C C 172.455 0.001 1 2018 311 261 THR CA C 57.212 0.003 1 2019 311 261 THR CB C 69.810 0.009 1 2020 311 261 THR N N 106.124 0.084 1 2021 312 262 PRO HA H 4.037 0.005 1 2022 312 262 PRO HB2 H 2.296 0.010 2 2023 312 262 PRO HB3 H 1.914 0.006 2 2024 312 262 PRO HG2 H 2.158 0.005 2 2025 312 262 PRO C C 179.776 0.001 1 2026 312 262 PRO CA C 65.256 0.001 1 2027 312 262 PRO CB C 31.721 0.009 1 2028 312 262 PRO CG C 27.716 0.007 1 2029 312 262 PRO CD C 50.651 0.005 1 2030 313 263 GLU H H 8.992 0.003 1 2031 313 263 GLU HA H 3.941 0.001 1 2032 313 263 GLU HB2 H 1.906 0.018 2 2033 313 263 GLU HB3 H 1.804 0.007 2 2034 313 263 GLU HG2 H 2.316 0.004 2 2035 313 263 GLU HG3 H 2.145 0.002 2 2036 313 263 GLU C C 179.057 0.006 1 2037 313 263 GLU CA C 59.627 0.004 1 2038 313 263 GLU CB C 28.509 0.001 1 2039 313 263 GLU CG C 36.563 0.005 1 2040 313 263 GLU N N 119.109 0.049 1 2041 314 264 GLY H H 8.030 0.005 1 2042 314 264 GLY HA2 H 4.271 0.008 2 2043 314 264 GLY HA3 H 3.438 0.009 2 2044 314 264 GLY C C 175.901 0.009 1 2045 314 264 GLY CA C 46.985 0.004 1 2046 314 264 GLY N N 112.617 0.052 1 2047 315 265 ARG H H 7.952 0.006 1 2048 315 265 ARG HA H 3.957 0.009 1 2049 315 265 ARG HB2 H 1.807 0.006 2 2050 315 265 ARG HB3 H 1.891 0.004 2 2051 315 265 ARG C C 178.924 0.007 1 2052 315 265 ARG CA C 60.762 0.002 1 2053 315 265 ARG CB C 30.818 0.010 1 2054 315 265 ARG CG C 30.103 0.008 1 2055 315 265 ARG CD C 44.546 0.003 1 2056 315 265 ARG N N 119.639 0.092 1 2057 316 266 ALA H H 7.475 0.001 1 2058 316 266 ALA HA H 3.802 0.007 1 2059 316 266 ALA HB H 1.352 0.006 1 2060 316 266 ALA C C 180.271 0.007 1 2061 316 266 ALA CA C 54.797 0.007 1 2062 316 266 ALA CB C 18.176 0.001 1 2063 316 266 ALA N N 117.411 0.088 1 2064 317 267 LYS H H 7.175 0.011 1 2065 317 267 LYS HA H 3.921 0.003 1 2066 317 267 LYS HB2 H 1.738 0.001 2 2067 317 267 LYS HB3 H 1.476 0.002 2 2068 317 267 LYS HG2 H 1.293 0.004 2 2069 317 267 LYS HD2 H 1.463 0.003 2 2070 317 267 LYS HE2 H 2.774 0.004 2 2071 317 267 LYS C C 177.621 0.009 1 2072 317 267 LYS CA C 57.792 0.005 1 2073 317 267 LYS CB C 32.308 0.002 1 2074 317 267 LYS CG C 25.240 0.007 1 2075 317 267 LYS CD C 29.169 0.009 1 2076 317 267 LYS CE C 42.123 0.007 1 2077 317 267 LYS N N 117.627 0.071 1 2078 318 268 ASN H H 7.257 0.008 1 2079 318 268 ASN HA H 4.453 0.011 1 2080 318 268 ASN HB2 H 2.442 0.011 2 2081 318 268 ASN HB3 H 2.380 0.008 2 2082 318 268 ASN C C 176.200 0.009 1 2083 318 268 ASN CA C 54.726 0.001 1 2084 318 268 ASN CB C 38.041 0.008 1 2085 318 268 ASN N N 114.725 0.058 1 2086 319 269 ARG H H 6.768 0.002 1 2087 319 269 ARG C C 172.539 0.003 1 2088 319 269 ARG CA C 56.266 0.001 1 2089 319 269 ARG CB C 29.650 0.008 1 2090 319 269 ARG N N 118.985 0.137 1 2091 320 270 ARG H H 7.367 0.009 1 2092 320 270 ARG C C 173.731 0.100 1 2093 320 270 ARG CA C 54.544 0.100 1 2094 320 270 ARG CB C 32.249 0.008 1 2095 320 270 ARG N N 122.408 0.006 1 2096 321 271 VAL H H 8.569 0.001 1 2097 321 271 VAL HA H 5.534 0.015 1 2098 321 271 VAL HB H 1.880 0.010 1 2099 321 271 VAL HG2 H 0.872 0.009 2 2100 321 271 VAL C C 174.432 0.001 1 2101 321 271 VAL CA C 59.468 0.004 1 2102 321 271 VAL CB C 36.438 0.008 1 2103 321 271 VAL CG2 C 23.081 0.009 2 2104 321 271 VAL N N 116.775 0.043 1 2105 322 272 GLU H H 9.381 0.003 1 2106 322 272 GLU HA H 4.932 0.001 1 2107 322 272 GLU C C 174.699 0.100 1 2108 322 272 GLU CA C 54.740 0.005 1 2109 322 272 GLU CB C 33.010 0.004 1 2110 322 272 GLU N N 124.335 0.016 1 2111 323 273 ILE H H 8.575 0.004 1 2112 323 273 ILE HA H 4.372 0.009 1 2113 323 273 ILE HB H 1.711 0.010 1 2114 323 273 ILE HG2 H 0.572 0.010 1 2115 323 273 ILE HD1 H 0.669 0.010 1 2116 323 273 ILE C C 174.945 0.005 1 2117 323 273 ILE CA C 61.367 0.010 1 2118 323 273 ILE CB C 39.051 0.004 1 2119 323 273 ILE CG1 C 27.491 0.007 1 2120 323 273 ILE CG2 C 16.954 0.006 1 2121 323 273 ILE CD1 C 13.891 0.004 1 2122 323 273 ILE N N 122.864 0.018 1 2123 324 274 VAL H H 9.125 0.002 1 2124 324 274 VAL HA H 4.614 0.002 1 2125 324 274 VAL HB H 1.927 0.001 1 2126 324 274 VAL HG1 H 0.794 0.010 2 2127 324 274 VAL C C 175.647 0.008 1 2128 324 274 VAL CA C 61.216 0.002 1 2129 324 274 VAL CB C 34.571 0.001 1 2130 324 274 VAL N N 131.228 0.047 1 2131 325 275 VAL H H 8.963 0.002 1 2132 325 275 VAL HA H 4.384 0.014 1 2133 325 275 VAL HB H 1.808 0.001 1 2134 325 275 VAL HG1 H 0.660 0.012 2 2135 325 275 VAL HG2 H 0.813 0.008 2 2136 325 275 VAL C C 174.887 0.004 1 2137 325 275 VAL CA C 61.599 0.003 1 2138 325 275 VAL CB C 33.188 0.008 1 2139 325 275 VAL CG2 C 21.152 0.008 2 2140 325 275 VAL N N 126.796 0.037 1 2141 326 276 ASN H H 8.799 0.002 1 2142 326 276 ASN HA H 4.668 0.002 1 2143 326 276 ASN HB2 H 2.609 0.001 2 2144 326 276 ASN HB3 H 2.463 0.001 2 2145 326 276 ASN C C 174.329 0.002 1 2146 326 276 ASN CA C 53.109 0.006 1 2147 326 276 ASN CB C 40.457 0.006 1 2148 326 276 ASN N N 126.205 0.050 1 stop_ save_