data_50412 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side-chain chemical shift assignments of p50 subunit of NF-kB transcription factor ; _BMRB_accession_number 50412 _BMRB_flat_file_name bmr50412.str _Entry_type original _Submission_date 2020-07-27 _Accession_date 2020-07-27 _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 Singh Amrinder . . 2 Dyson Jane . . 3 Wright Peter E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1374 "13C chemical shifts" 1069 "15N chemical shifts" 283 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-08-04 original BMRB . stop_ _Original_release_date 2020-07-29 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone and side-chain chemical shift assignments of p50 subunit of NF-kB transcription factor ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Singh Amrinder . . 2 Dyson Jane . . 3 Wright Peter E. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name p50 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'p50 DNA binding domain' $entity_1 'p50 Dimerization Domain' $entity_2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 210 _Mol_residue_sequence ; MGPYLQILEQPKQRGFRFRY VCEGPSHGGLPGASSEKNKK SYPQVKICNYVGPAKVIVQL VTNGKNIHLHAHSLVGKHCE DGVCTVTAGPKDMVVGFANL GILHVTKKKVFETLEARMTE ACIRGYNPGLLVHSDLAYLQ AEGGGDRQLTDREKEIIRQA AVQQTKEMDLSVVRLMFTAF LPDSTGSFTRRLEPVVSDAI YDSKAPNASN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 38 MET 2 39 GLY 3 40 PRO 4 41 TYR 5 42 LEU 6 43 GLN 7 44 ILE 8 45 LEU 9 46 GLU 10 47 GLN 11 48 PRO 12 49 LYS 13 50 GLN 14 51 ARG 15 52 GLY 16 53 PHE 17 54 ARG 18 55 PHE 19 56 ARG 20 57 TYR 21 58 VAL 22 59 CYS 23 60 GLU 24 61 GLY 25 62 PRO 26 63 SER 27 64 HIS 28 65 GLY 29 66 GLY 30 67 LEU 31 68 PRO 32 69 GLY 33 70 ALA 34 71 SER 35 72 SER 36 73 GLU 37 74 LYS 38 75 ASN 39 76 LYS 40 77 LYS 41 78 SER 42 79 TYR 43 80 PRO 44 81 GLN 45 82 VAL 46 83 LYS 47 84 ILE 48 85 CYS 49 86 ASN 50 87 TYR 51 88 VAL 52 89 GLY 53 90 PRO 54 91 ALA 55 92 LYS 56 93 VAL 57 94 ILE 58 95 VAL 59 96 GLN 60 97 LEU 61 98 VAL 62 99 THR 63 100 ASN 64 101 GLY 65 102 LYS 66 103 ASN 67 104 ILE 68 105 HIS 69 106 LEU 70 107 HIS 71 108 ALA 72 109 HIS 73 110 SER 74 111 LEU 75 112 VAL 76 113 GLY 77 114 LYS 78 115 HIS 79 116 CYS 80 117 GLU 81 118 ASP 82 119 GLY 83 120 VAL 84 121 CYS 85 122 THR 86 123 VAL 87 124 THR 88 125 ALA 89 126 GLY 90 127 PRO 91 128 LYS 92 129 ASP 93 130 MET 94 131 VAL 95 132 VAL 96 133 GLY 97 134 PHE 98 135 ALA 99 136 ASN 100 137 LEU 101 138 GLY 102 139 ILE 103 140 LEU 104 141 HIS 105 142 VAL 106 143 THR 107 144 LYS 108 145 LYS 109 146 LYS 110 147 VAL 111 148 PHE 112 149 GLU 113 150 THR 114 151 LEU 115 152 GLU 116 153 ALA 117 154 ARG 118 155 MET 119 156 THR 120 157 GLU 121 158 ALA 122 159 CYS 123 160 ILE 124 161 ARG 125 162 GLY 126 163 TYR 127 164 ASN 128 165 PRO 129 166 GLY 130 167 LEU 131 168 LEU 132 169 VAL 133 170 HIS 134 171 SER 135 172 ASP 136 173 LEU 137 174 ALA 138 175 TYR 139 176 LEU 140 177 GLN 141 178 ALA 142 179 GLU 143 180 GLY 144 181 GLY 145 182 GLY 146 183 ASP 147 184 ARG 148 185 GLN 149 186 LEU 150 187 THR 151 188 ASP 152 189 ARG 153 190 GLU 154 191 LYS 155 192 GLU 156 193 ILE 157 194 ILE 158 195 ARG 159 196 GLN 160 197 ALA 161 198 ALA 162 199 VAL 163 200 GLN 164 201 GLN 165 202 THR 166 203 LYS 167 204 GLU 168 205 MET 169 206 ASP 170 207 LEU 171 208 SER 172 209 VAL 173 210 VAL 174 211 ARG 175 212 LEU 176 213 MET 177 214 PHE 178 215 THR 179 216 ALA 180 217 PHE 181 218 LEU 182 219 PRO 183 220 ASP 184 221 SER 185 222 THR 186 223 GLY 187 224 SER 188 225 PHE 189 226 THR 190 227 ARG 191 228 ARG 192 229 LEU 193 230 GLU 194 231 PRO 195 232 VAL 196 233 VAL 197 234 SER 198 235 ASP 199 236 ALA 200 237 ILE 201 238 TYR 202 239 ASP 203 240 SER 204 241 LYS 205 242 ALA 206 243 PRO 207 244 ASN 208 245 ALA 209 246 SER 210 247 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass . _Mol_thiol_state 'all free' _Details . _Residue_count 107 _Mol_residue_sequence ; MASNLKIVRMDRTAGCVTGG EEIYLLCDKVQKDDIQIRFY EEEENGGVWEGFGDFSPTDV HRQFAIVFKTPKYKDVNITK PASVFVQLRRKSDLETSEPK PFLYYPE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 244 MET 2 245 ALA 3 246 SER 4 247 ASN 5 248 LEU 6 249 LYS 7 250 ILE 8 251 VAL 9 252 ARG 10 253 MET 11 254 ASP 12 255 ARG 13 256 THR 14 257 ALA 15 258 GLY 16 259 CYS 17 260 VAL 18 261 THR 19 262 GLY 20 263 GLY 21 264 GLU 22 265 GLU 23 266 ILE 24 267 TYR 25 268 LEU 26 269 LEU 27 270 CYS 28 271 ASP 29 272 LYS 30 273 VAL 31 274 GLN 32 275 LYS 33 276 ASP 34 277 ASP 35 278 ILE 36 279 GLN 37 280 ILE 38 281 ARG 39 282 PHE 40 283 TYR 41 284 GLU 42 285 GLU 43 286 GLU 44 287 GLU 45 288 ASN 46 289 GLY 47 290 GLY 48 291 VAL 49 292 TRP 50 293 GLU 51 294 GLY 52 295 PHE 53 296 GLY 54 297 ASP 55 298 PHE 56 299 SER 57 300 PRO 58 301 THR 59 302 ASP 60 303 VAL 61 304 HIS 62 305 ARG 63 306 GLN 64 307 PHE 65 308 ALA 66 309 ILE 67 310 VAL 68 311 PHE 69 312 LYS 70 313 THR 71 314 PRO 72 315 LYS 73 316 TYR 74 317 LYS 75 318 ASP 76 319 VAL 77 320 ASN 78 321 ILE 79 322 THR 80 323 LYS 81 324 PRO 82 325 ALA 83 326 SER 84 327 VAL 85 328 PHE 86 329 VAL 87 330 GLN 88 331 LEU 89 332 ARG 90 333 ARG 91 334 LYS 92 335 SER 93 336 ASP 94 337 LEU 95 338 GLU 96 339 THR 97 340 SER 98 341 GLU 99 342 PRO 100 343 LYS 101 344 PRO 102 345 PHE 103 346 LEU 104 347 TYR 105 348 TYR 106 349 PRO 107 350 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Mouse 10090 Eukaryota Metazoa Mus musculus $entity_2 Mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli . plasmid pET21b $entity_2 'recombinant technology' . Escherichia coli . plasmid pET21b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-13C; U-15N; U-2H]' NaCl 150 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-100% 13C; U-100% 15N]' NaCl 150 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 0.800 mM '[U-100% 13C; U-100% 15N]' NaCl 150 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRPipe _Version . loop_ _Task processing stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CcpNMR _Version . loop_ _Task 'data analysis' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version . loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCOCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCOCA' _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_CBCACONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCACONH' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_HCCH-COSY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_3 save_ save_3D_H(CCO)NH_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_3 save_ save_3D_1H-15N_TOCSY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_3D_HNCA_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 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' 0.150 . M pH 6.8 . pH temperature 290 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 6.8 . pH temperature 300 . K stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 6.8 . pH temperature 315 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 protons ppm 4.702 internal indirect . . . . water H 1 protons ppm 4.702 internal direct . . . 1 water N 15 protons ppm 4.702 internal indirect . . . . stop_ save_ save_chem_shift_reference_2 _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 protons ppm 4.702 internal indirect . . . . water H 1 protons ppm 4.702 internal direct . . . 1 water N 15 protons ppm 4.702 internal indirect . . . . 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_2 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCOCA' '3D HNCACB' '3D CBCACONH' '3D HNCO' '3D HNCACO' '2D 1H-13C HSQC' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D H(CCO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'p50 DNA binding domain' _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 38 1 MET HA H 4.0503 0.01 1 2 38 1 MET HB2 H 2.11 0.01 2 3 38 1 MET HB3 H 2.0739 0.01 2 4 38 1 MET HG2 H 2.6142 0.01 1 5 38 1 MET HG3 H 2.6416 0.01 1 6 38 1 MET CA C 52.5393 0.01 1 7 38 1 MET CB C 30.532 0.01 1 8 38 1 MET CG C 28.3564 0.01 1 9 40 3 PRO HA H 4.9398 0.01 1 10 40 3 PRO HB2 H 2.0053 0.01 2 11 40 3 PRO HB3 H 1.7039 0.01 2 12 40 3 PRO HG2 H 1.8037 0.05 2 13 40 3 PRO HG3 H 1.3577 0.05 2 14 40 3 PRO HD2 H 3.858 0.05 2 15 40 3 PRO C C 173.3312 0.05 1 16 40 3 PRO CA C 60.0416 0.01 1 17 40 3 PRO CB C 29.8382 0.01 1 18 40 3 PRO CG C 24.5563 0.05 1 19 41 4 TYR H H 7.8267 0.01 1 20 41 4 TYR HA H 4.7086 0.01 1 21 41 4 TYR HB2 H 3.0946 0.05 2 22 41 4 TYR HB3 H 2.8999 0.05 2 23 41 4 TYR C C 181.4934 0.05 1 24 41 4 TYR CA C 53.8828 0.01 1 25 41 4 TYR CB C 36.8165 0.05 1 26 41 4 TYR N N 115.9655 0.01 1 27 42 5 LEU H H 8.9746 0.01 1 28 42 5 LEU HA H 4.9154 0.01 1 29 42 5 LEU HB2 H 1.4029 0.01 2 30 42 5 LEU HB3 H 1.3735 0.01 2 31 42 5 LEU HG H 1.3886 0.01 1 32 42 5 LEU HD1 H 0.5646 0.01 2 33 42 5 LEU HD2 H 0.6979 0.01 2 34 42 5 LEU C C 171.7316 0.05 1 35 42 5 LEU CA C 50.856 0.01 1 36 42 5 LEU CB C 43.0242 0.01 1 37 42 5 LEU CG C 24.1338 0.01 1 38 42 5 LEU CD1 C 21.0987 0.01 1 39 42 5 LEU CD2 C 23.5803 0.01 1 40 42 5 LEU N N 122.0907 0.01 1 41 43 6 GLN H H 8.7075 0.01 1 42 43 6 GLN HA H 4.668 0.01 1 43 43 6 GLN HB2 H 1.9516 0.01 2 44 43 6 GLN HB3 H 1.7903 0.01 2 45 43 6 GLN HG2 H 2.2528 0.05 2 46 43 6 GLN C C 172.7021 0.05 1 47 43 6 GLN CA C 51.1738 0.01 1 48 43 6 GLN CB C 30.8244 0.01 1 49 43 6 GLN CG C 28.8474 0.05 1 50 43 6 GLN N N 122.0523 0.01 1 51 44 7 ILE H H 9.1531 0.01 1 52 44 7 ILE HA H 3.8479 0.01 1 53 44 7 ILE HB H 1.6678 0.01 1 54 44 7 ILE HG12 H 0.3755 0.01 2 55 44 7 ILE HG13 H 1.4455 0.01 2 56 44 7 ILE HG2 H 0.5968 0.01 1 57 44 7 ILE HD1 H 0.7558 0.01 1 58 44 7 ILE C C 172.6944 0.05 1 59 44 7 ILE CA C 60.0132 0.01 1 60 44 7 ILE CB C 34.6844 0.01 1 61 44 7 ILE CG1 C 25.1999 0.01 1 62 44 7 ILE CG2 C 13.941 0.01 1 63 44 7 ILE CD1 C 11.1879 0.01 1 64 44 7 ILE N N 125.637 0.01 1 65 45 8 LEU H H 8.1722 0.01 1 66 45 8 LEU HA H 4.2805 0.01 1 67 45 8 LEU HB2 H 1.2263 0.01 2 68 45 8 LEU HB3 H 1.4033 0.01 2 69 45 8 LEU HG H 0.7362 0.01 1 70 45 8 LEU HD1 H 0.6432 0.01 2 71 45 8 LEU HD2 H 1.3587 0.01 2 72 45 8 LEU C C 174.0546 0.05 1 73 45 8 LEU CA C 52.7062 0.01 1 74 45 8 LEU CB C 40.9033 0.01 1 75 45 8 LEU CG C 23.6564 0.01 1 76 45 8 LEU CD1 C 20.1461 0.01 1 77 45 8 LEU CD2 C 24.2587 0.01 1 78 45 8 LEU N N 130.0622 0.01 1 79 46 9 GLU H H 7.5761 0.01 1 80 46 9 GLU HA H 4.5875 0.01 1 81 46 9 GLU HB2 H 2.1852 0.01 2 82 46 9 GLU HB3 H 1.8718 0.01 2 83 46 9 GLU HG2 H 2.2675 0.05 2 84 46 9 GLU C C 172.6407 0.05 1 85 46 9 GLU CA C 52.4777 0.01 1 86 46 9 GLU CB C 30.0599 0.01 1 87 46 9 GLU N N 120.399 0.01 1 88 47 10 GLN H H 8.6435 0.01 1 89 47 10 GLN C C 171.558 0.05 1 90 47 10 GLN CA C 52.141 0.05 1 91 47 10 GLN CB C 24.6117 0.05 1 92 47 10 GLN N N 125.9883 0.01 1 93 48 11 PRO C C 172.4557 0.05 1 94 48 11 PRO CA C 59.31 0.05 1 95 48 11 PRO CB C 29.13 0.05 1 96 49 12 LYS H H 8.0179 0.01 1 97 49 12 LYS C C 174.2008 0.05 1 98 49 12 LYS CA C 54.2619 0.05 1 99 49 12 LYS CB C 34.9548 0.05 1 100 49 12 LYS N N 122.809 0.01 1 101 50 13 GLN H H 8.3006 0.01 1 102 50 13 GLN C C 174.1983 0.05 1 103 50 13 GLN CA C 57.4052 0.05 1 104 50 13 GLN CB C 29.1168 0.05 1 105 50 13 GLN N N 122.3741 0.01 1 106 51 14 ARG H H 7.7271 0.01 1 107 51 14 ARG HA H 5.1153 0.01 1 108 51 14 ARG C C 174.5536 0.05 1 109 51 14 ARG CA C 51.7909 0.01 1 110 51 14 ARG N N 114.4471 0.01 1 111 52 15 GLY H H 9.0163 0.01 1 112 52 15 GLY HA2 H 4.375 0.01 1 113 52 15 GLY HA3 H 4.375 0.01 1 114 52 15 GLY C C 170.8446 0.05 1 115 52 15 GLY CA C 42.2798 0.01 1 116 52 15 GLY N N 108.4331 0.01 1 117 53 16 PHE H H 8.6669 0.01 1 118 53 16 PHE C C 170.8528 0.05 1 119 53 16 PHE CA C 54.4587 0.05 1 120 53 16 PHE CB C 38.4385 0.05 1 121 53 16 PHE N N 125.3892 0.01 1 122 54 17 ARG H H 7.4761 0.01 1 123 54 17 ARG HA H 4.496 0.05 1 124 54 17 ARG C C 172.9153 0.05 1 125 54 17 ARG CA C 51.9886 0.05 1 126 54 17 ARG CB C 28.5536 0.05 1 127 54 17 ARG N N 126.8667 0.01 1 128 55 18 PHE H H 8.6986 0.01 1 129 55 18 PHE HA H 4.2843 0.05 1 130 55 18 PHE C C 172.5033 0.05 1 131 55 18 PHE CA C 50.9101 0.05 1 132 55 18 PHE N N 125.8386 0.01 1 133 58 21 VAL HA H 4.7751 0.01 1 134 58 21 VAL HB H 1.8186 0.01 1 135 58 21 VAL HG1 H -0.1095 0.01 2 136 58 21 VAL HG2 H 0.4184 0.01 2 137 58 21 VAL CA C 55.3833 0.01 1 138 58 21 VAL CB C 33.4866 0.01 1 139 58 21 VAL CG1 C 17.9331 0.01 1 140 58 21 VAL CG2 C 17.3663 0.01 1 141 59 22 CYS H H 8.4818 0.01 1 142 59 22 CYS HA H 4.4184 0.01 1 143 59 22 CYS HB2 H 3.0409 0.01 2 144 59 22 CYS HB3 H 2.8851 0.01 2 145 59 22 CYS C C 172.1366 0.05 1 146 59 22 CYS CA C 56.3517 0.01 1 147 59 22 CYS CB C 24.5318 0.01 1 148 59 22 CYS N N 115.6687 0.01 1 149 60 23 GLU H H 7.7276 0.01 1 150 60 23 GLU HA H 4.3092 0.01 1 151 60 23 GLU C C 174.3912 0.05 1 152 60 23 GLU CA C 54.0829 0.01 1 153 60 23 GLU N N 121.2889 0.01 1 154 61 24 GLY H H 7.7665 0.01 1 155 61 24 GLY HA2 H 4.386 0.01 1 156 61 24 GLY HA3 H 4.0904 0.01 1 157 61 24 GLY C C 182.1679 0.05 1 158 61 24 GLY CA C 42.0571 0.01 1 159 61 24 GLY N N 107.0163 0.01 1 160 62 25 PRO HA H 4.3667 0.01 1 161 62 25 PRO HB2 H 1.8251 0.01 2 162 62 25 PRO HB3 H 2.1908 0.01 2 163 62 25 PRO HG2 H 1.9313 0.01 2 164 62 25 PRO HD2 H 3.609 0.01 2 165 62 25 PRO HD3 H 3.5816 0.01 2 166 62 25 PRO C C 174.5199 0.05 1 167 62 25 PRO CA C 60.5913 0.01 1 168 62 25 PRO CB C 29.5599 0.01 1 169 62 25 PRO CG C 24.5563 0.01 1 170 62 25 PRO CD C 47.1683 0.01 1 171 63 26 SER H H 8.3043 0.01 1 172 63 26 SER HA H 4.2804 0.01 1 173 63 26 SER HB2 H 3.6601 0.01 2 174 63 26 SER C C 172.0019 0.05 1 175 63 26 SER CA C 54.1553 0.01 1 176 63 26 SER CB C 62.4457 0.01 1 177 63 26 SER N N 115.4399 0.01 1 178 64 27 HIS H H 8.4929 0.01 1 179 64 27 HIS HA H 4.6799 0.01 1 180 64 27 HIS HB2 H 3.1753 0.01 2 181 64 27 HIS HB3 H 3.0622 0.01 2 182 64 27 HIS C C 172.6796 0.05 1 183 64 27 HIS CA C 53.2721 0.01 1 184 64 27 HIS CB C 27.8345 0.01 1 185 64 27 HIS N N 121.6231 0.01 1 186 65 28 GLY H H 8.2016 0.01 1 187 65 28 GLY HA2 H 4.0277 0.01 1 188 65 28 GLY C C 171.3143 0.05 1 189 65 28 GLY CA C 42.4586 0.01 1 190 65 28 GLY N N 109.7631 0.01 1 191 66 29 GLY C C 170.2723 0.05 1 192 67 30 LEU H H 8.4498 0.01 1 193 67 30 LEU HA H 3.5359 0.01 1 194 67 30 LEU HB2 H 0.9986 0.01 2 195 67 30 LEU HB3 H 1.372 0.01 2 196 67 30 LEU HG H 0.4226 0.01 1 197 67 30 LEU HD1 H 0.4526 0.01 2 198 67 30 LEU HD2 H 1.3137 0.01 2 199 67 30 LEU C C 172.259 0.05 1 200 67 30 LEU CA C 50.2794 0.01 1 201 67 30 LEU CB C 40.2578 0.01 1 202 67 30 LEU CG C 23.0412 0.01 1 203 67 30 LEU CD1 C 24.0002 0.01 1 204 67 30 LEU CD2 C 24.0816 0.01 1 205 67 30 LEU N N 124.6886 0.01 1 206 68 31 PRO C C 174.8462 0.05 1 207 68 31 PRO CA C 58.9286 0.05 1 208 68 31 PRO CB C 29.83 0.05 1 209 69 32 GLY H H 7.798 0.01 1 210 69 32 GLY HA2 H 4.1478 0.01 1 211 69 32 GLY C C 173.1815 0.05 1 212 69 32 GLY CA C 41.7005 0.01 1 213 69 32 GLY N N 105.4905 0.01 1 214 70 33 ALA H H 8.7251 0.01 1 215 70 33 ALA HA H 3.7205 0.01 1 216 70 33 ALA HB H 1.3115 0.01 1 217 70 33 ALA C C 176.397 0.05 1 218 70 33 ALA CA C 52.3384 0.01 1 219 70 33 ALA CB C 16.5275 0.01 1 220 70 33 ALA N N 123.9691 0.01 1 221 71 34 SER H H 9.0017 0.01 1 222 71 34 SER HA H 4.4316 0.01 1 223 71 34 SER HB2 H 3.8824 0.01 2 224 71 34 SER HB3 H 3.8824 0.01 2 225 71 34 SER C C 171.9801 0.05 1 226 71 34 SER CA C 55.8117 0.01 1 227 71 34 SER CB C 60.1656 0.01 1 228 71 34 SER N N 113.2373 0.01 1 229 72 35 SER H H 7.4361 0.01 1 230 72 35 SER C C 171.7988 0.05 1 231 72 35 SER CA C 57.546 0.05 1 232 72 35 SER CB C 60.6774 0.05 1 233 72 35 SER N N 117.7486 0.01 1 234 73 36 GLU H H 8.1332 0.01 1 235 73 36 GLU HA H 4.6025 0.05 1 236 73 36 GLU HB2 H 1.8862 0.05 2 237 73 36 GLU HB3 H 1.8862 0.05 2 238 73 36 GLU C C 173.9845 0.05 1 239 73 36 GLU CA C 52.3934 0.05 1 240 73 36 GLU CB C 29.7911 0.05 1 241 73 36 GLU N N 124.4282 0.01 1 242 74 37 LYS H H 8.6483 0.01 1 243 74 37 LYS C C 174.6547 0.05 1 244 74 37 LYS CA C 56.6432 0.05 1 245 74 37 LYS CB C 29.2811 0.05 1 246 74 37 LYS N N 121.7035 0.01 1 247 75 38 ASN H H 8.371 0.01 1 248 75 38 ASN HA H 4.5777 0.01 1 249 75 38 ASN HB2 H 2.7979 0.01 2 250 75 38 ASN HB3 H 2.7979 0.01 2 251 75 38 ASN C C 171.8341 0.05 1 252 75 38 ASN CA C 50.3304 0.01 1 253 75 38 ASN CB C 35.752 0.01 1 254 75 38 ASN N N 114.3238 0.01 1 255 76 39 LYS H H 7.6728 0.01 1 256 76 39 LYS HA H 4.3145 0.05 1 257 76 39 LYS C C 172.2172 0.05 1 258 76 39 LYS CA C 53.5837 0.05 1 259 76 39 LYS CB C 29.6216 0.05 1 260 76 39 LYS N N 122.0861 0.01 1 261 77 40 LYS H H 8.559 0.01 1 262 77 40 LYS HA H 4.3499 0.01 1 263 77 40 LYS HB2 H 1.6642 0.05 2 264 77 40 LYS HG2 H 1.4011 0.05 2 265 77 40 LYS HE2 H 3.0713 0.05 2 266 77 40 LYS C C 173.5488 0.05 1 267 77 40 LYS CA C 53.718 0.01 1 268 77 40 LYS CB C 29.8983 0.05 1 269 77 40 LYS CG C 22.6297 0.05 1 270 77 40 LYS N N 127.141 0.01 1 271 78 41 SER H H 7.6581 0.01 1 272 78 41 SER HA H 4.2804 0.01 1 273 78 41 SER HB2 H 3.6601 0.01 2 274 78 41 SER HB3 H 3.6601 0.01 2 275 78 41 SER C C 170.7503 0.05 1 276 78 41 SER CA C 54.1553 0.01 1 277 78 41 SER CB C 62.4457 0.01 1 278 78 41 SER N N 116.3089 0.01 1 279 80 43 PRO C C 173.0578 0.01 1 280 80 43 PRO CA C 60.366 0.05 1 281 80 43 PRO CB C 28.1 0.05 1 282 81 44 GLN H H 8.4291 0.01 1 283 81 44 GLN HA H 5.5518 0.01 1 284 81 44 GLN HB2 H 1.9143 0.01 2 285 81 44 GLN HB3 H 1.8168 0.01 2 286 81 44 GLN HG2 H 2.4535 0.01 2 287 81 44 GLN HG3 H 1.9833 0.01 2 288 81 44 GLN C C 173.1466 0.05 1 289 81 44 GLN CA C 52.449 0.01 1 290 81 44 GLN CB C 33.5232 0.01 1 291 81 44 GLN CG C 32.0973 0.01 1 292 81 44 GLN N N 119.4712 0.01 1 293 82 45 VAL H H 8.9962 0.01 1 294 82 45 VAL HA H 4.8952 0.01 1 295 82 45 VAL HB H 1.6303 0.01 1 296 82 45 VAL HG1 H -0.0338 0.01 2 297 82 45 VAL HG2 H 0.4631 0.01 2 298 82 45 VAL C C 182.1584 0.05 1 299 82 45 VAL CA C 56.1519 0.01 1 300 82 45 VAL CB C 32.5894 0.01 1 301 82 45 VAL CG1 C 17.445 0.01 1 302 82 45 VAL CG2 C 16.3572 0.01 1 303 82 45 VAL N N 117.4919 0.01 1 304 83 46 LYS H H 8.9262 0.01 1 305 83 46 LYS HA H 5.1736 0.01 1 306 83 46 LYS HB2 H 1.465 0.01 2 307 83 46 LYS HG2 H 0.9701 0.01 2 308 83 46 LYS HG3 H 1.0607 0.01 2 309 83 46 LYS HD2 H 1.3718 0.01 2 310 83 46 LYS C C 172.7548 0.05 1 311 83 46 LYS CA C 51.7506 0.01 1 312 83 46 LYS CB C 35.4651 0.01 1 313 83 46 LYS CG C 22.4652 0.01 1 314 83 46 LYS CD C 26.9893 0.01 1 315 83 46 LYS N N 120.8459 0.01 1 316 84 47 ILE H H 7.7881 0.01 1 317 84 47 ILE HA H 4.1152 0.01 1 318 84 47 ILE HB H 1.664 0.01 1 319 84 47 ILE HG12 H 1.3304 0.01 2 320 84 47 ILE HG13 H 0.5776 0.01 2 321 84 47 ILE HG2 H 0.6616 0.01 1 322 84 47 ILE HD1 H 0.4501 0.01 1 323 84 47 ILE C C 171.3114 0.05 1 324 84 47 ILE CA C 58.7958 0.01 1 325 84 47 ILE CB C 34.8116 0.01 1 326 84 47 ILE CG1 C 25.8809 0.01 1 327 84 47 ILE CG2 C 15.6353 0.01 1 328 84 47 ILE CD1 C 11.6904 0.01 1 329 84 47 ILE N N 124.9268 0.01 1 330 85 48 CYS H H 8.7426 0.01 1 331 85 48 CYS HA H 4.3151 0.01 1 332 85 48 CYS HB2 H 2.1338 0.01 2 333 85 48 CYS HB3 H 1.0412 0.01 2 334 85 48 CYS C C 171.4699 0.05 1 335 85 48 CYS CA C 55.4379 0.01 1 336 85 48 CYS CB C 26.4169 0.01 1 337 85 48 CYS N N 125.1819 0.01 1 338 86 49 ASN H H 8.7785 0.01 1 339 86 49 ASN HA H 4.2151 0.01 1 340 86 49 ASN HB2 H 3.0061 0.01 2 341 86 49 ASN HB3 H 2.8438 0.01 2 342 86 49 ASN C C 170.2393 0.05 1 343 86 49 ASN CA C 51.0606 0.01 1 344 86 49 ASN CB C 32.8202 0.01 1 345 86 49 ASN N N 115.4658 0.01 1 346 87 50 TYR H H 6.9746 0.01 1 347 87 50 TYR HA H 4.4258 0.01 1 348 87 50 TYR HB2 H 3.1645 0.01 2 349 87 50 TYR HB3 H 2.0409 0.01 2 350 87 50 TYR C C 170.1459 0.05 1 351 87 50 TYR CA C 56.0082 0.01 1 352 87 50 TYR CB C 38.5749 0.01 1 353 87 50 TYR N N 115.3425 0.01 1 354 88 51 VAL H H 7.3555 0.01 1 355 88 51 VAL HA H 4.0992 0.01 1 356 88 51 VAL HB H 1.6909 0.01 1 357 88 51 VAL HG1 H 0.7804 0.01 2 358 88 51 VAL HG2 H 0.8616 0.01 2 359 88 51 VAL C C 170.6312 0.05 1 360 88 51 VAL CA C 58.5569 0.01 1 361 88 51 VAL CB C 32.026 0.01 1 362 88 51 VAL CG1 C 18.3473 0.01 1 363 88 51 VAL CG2 C 18.1252 0.01 1 364 88 51 VAL N N 128.2381 0.01 1 365 89 52 GLY H H 7.4441 0.01 1 366 89 52 GLY HA2 H 4.126 0.01 1 367 89 52 GLY C C 180.1857 0.05 1 368 89 52 GLY CA C 42.6797 0.01 1 369 89 52 GLY N N 116.7506 0.01 1 370 90 53 PRO HA H 4.9282 0.01 1 371 90 53 PRO HB2 H 1.5755 0.01 2 372 90 53 PRO HB3 H 2.4573 0.01 2 373 90 53 PRO HG2 H 1.8461 0.01 2 374 90 53 PRO HG3 H 1.6815 0.01 2 375 90 53 PRO HD2 H 3.849 0.01 2 376 90 53 PRO HD3 H 3.5679 0.01 2 377 90 53 PRO C C 175.2792 0.05 1 378 90 53 PRO CA C 60.1813 0.01 1 379 90 53 PRO CB C 30.6302 0.01 1 380 90 53 PRO CG C 25.0975 0.01 1 381 90 53 PRO CD C 48.6984 0.01 1 382 91 54 ALA H H 7.957 0.01 1 383 91 54 ALA HA H 4.7045 0.01 1 384 91 54 ALA HB H 1.149 0.01 1 385 91 54 ALA C C 171.2307 0.05 1 386 91 54 ALA CA C 49.327 0.01 1 387 91 54 ALA CB C 20.649 0.01 1 388 91 54 ALA N N 121.2598 0.01 1 389 92 55 LYS H H 8.2941 0.01 1 390 92 55 LYS HA H 4.7547 0.01 1 391 92 55 LYS HB2 H 1.4958 0.01 2 392 92 55 LYS HB3 H 1.1362 0.01 2 393 92 55 LYS HG2 H 1.0975 0.01 2 394 92 55 LYS HG3 H 0.9007 0.01 2 395 92 55 LYS HE2 H 2.492 0.01 2 396 92 55 LYS C C 171.8956 0.01 1 397 92 55 LYS CA C 52.1183 0.01 1 398 92 55 LYS CB C 33.0158 0.01 1 399 92 55 LYS CG C 22.2463 0.01 1 400 92 55 LYS CE C 39.0058 0.01 1 401 92 55 LYS N N 121.7892 0.01 1 402 93 56 VAL H H 8.9689 0.01 1 403 93 56 VAL HA H 4.9628 0.01 1 404 93 56 VAL HB H 1.8784 0.01 1 405 93 56 VAL HG1 H 0.67 0.01 2 406 93 56 VAL HG2 H 0.6909 0.01 2 407 93 56 VAL C C 171.1478 0.05 1 408 93 56 VAL CA C 58.3927 0.01 1 409 93 56 VAL CB C 31.8448 0.01 1 410 93 56 VAL CG1 C 19.1329 0.01 1 411 93 56 VAL CG2 C 19.1619 0.01 1 412 93 56 VAL N N 125.0781 0.01 1 413 94 57 ILE H H 9.0131 0.01 1 414 94 57 ILE HA H 5.6706 0.01 1 415 94 57 ILE HB H 1.424 0.01 1 416 94 57 ILE HG12 H 0.9517 0.01 2 417 94 57 ILE HG13 H 1.4184 0.01 2 418 94 57 ILE HG2 H 0.5261 0.01 1 419 94 57 ILE HD1 H 0.1226 0.01 1 420 94 57 ILE C C 172.7503 0.05 1 421 94 57 ILE CA C 55.2509 0.01 1 422 94 57 ILE CB C 38.4061 0.01 1 423 94 57 ILE CG1 C 24.3165 0.01 1 424 94 57 ILE CG2 C 14.5838 0.01 1 425 94 57 ILE CD1 C 10.5783 0.01 1 426 94 57 ILE N N 120.6173 0.01 1 427 95 58 VAL H H 8.7184 0.01 1 428 95 58 VAL HA H 4.6283 0.01 1 429 95 58 VAL HB H 1.4694 0.01 1 430 95 58 VAL HG1 H -0.0197 0.01 2 431 95 58 VAL HG2 H 0.2436 0.01 2 432 95 58 VAL C C 172.403 0.05 1 433 95 58 VAL CA C 57.2455 0.01 1 434 95 58 VAL CB C 30.8727 0.01 1 435 95 58 VAL CG1 C 19.9692 0.01 1 436 95 58 VAL CG2 C 19.1614 0.01 1 437 95 58 VAL N N 120.672 0.01 1 438 96 59 GLN H H 8.3057 0.01 1 439 96 59 GLN HA H 4.6344 0.01 1 440 96 59 GLN C C 172.1384 0.05 1 441 96 59 GLN CA C 50.4882 0.01 1 442 96 59 GLN N N 120.528 0.01 1 443 97 60 LEU H H 8.6633 0.01 1 444 97 60 LEU HA H 4.887 0.01 1 445 97 60 LEU HB2 H 1.1876 0.01 2 446 97 60 LEU HB3 H 1.6224 0.01 2 447 97 60 LEU HG H 1.3137 0.01 1 448 97 60 LEU HD1 H 0.4226 0.01 2 449 97 60 LEU HD2 H 0.4526 0.01 2 450 97 60 LEU C C 173.906 0.01 1 451 97 60 LEU CA C 51.1333 0.01 1 452 97 60 LEU CB C 40.5705 0.01 1 453 97 60 LEU CG C 24.0816 0.01 1 454 97 60 LEU CD1 C 23.0412 0.01 1 455 97 60 LEU CD2 C 24.0002 0.01 1 456 97 60 LEU N N 121.7117 0.01 1 457 98 61 VAL H H 8.8065 0.01 1 458 98 61 VAL HA H 5.4194 0.01 1 459 98 61 VAL HB H 2.4258 0.01 1 460 98 61 VAL HG1 H 0.596 0.01 2 461 98 61 VAL HG2 H 0.6643 0.01 2 462 98 61 VAL C C 172.5096 0.05 1 463 98 61 VAL CA C 56.0791 0.01 1 464 98 61 VAL CB C 32.9908 0.01 1 465 98 61 VAL CG1 C 16.6312 0.01 1 466 98 61 VAL CG2 C 20.1057 0.01 1 467 98 61 VAL N N 117.0898 0.01 1 468 99 62 THR H H 8.6218 0.01 1 469 99 62 THR HA H 4.7594 0.01 1 470 99 62 THR HB H 4.5755 0.01 1 471 99 62 THR HG2 H 1.1041 0.01 1 472 99 62 THR C C 172.4854 0.05 1 473 99 62 THR CA C 58.0525 0.01 1 474 99 62 THR CB C 68.293 0.01 1 475 99 62 THR CG2 C 20.2297 0.01 1 476 99 62 THR N N 108.4597 0.01 1 477 100 63 ASN H H 8.7098 0.01 1 478 100 63 ASN HA H 4.8859 0.01 1 479 100 63 ASN HB2 H 2.691 0.01 2 480 100 63 ASN HB3 H 2.0369 0.01 2 481 100 63 ASN C C 172.6796 0.05 1 482 100 63 ASN CA C 49.2834 0.01 1 483 100 63 ASN CB C 38.7806 0.01 1 484 100 63 ASN N N 115.7319 0.01 1 485 101 64 GLY H H 7.1044 0.01 1 486 101 64 GLY HA2 H 4.01 0.01 1 487 101 64 GLY C C 170.5036 0.05 1 488 101 64 GLY CA C 41.9924 0.01 1 489 101 64 GLY N N 107.4773 0.01 1 490 102 65 LYS H H 8.1519 0.01 1 491 102 65 LYS HA H 3.8715 0.05 1 492 102 65 LYS HB2 H 2.0199 0.05 2 493 102 65 LYS HG2 H 1.3442 0.05 2 494 102 65 LYS HD2 H 1.6685 0.05 2 495 102 65 LYS C C 174.6503 0.05 1 496 102 65 LYS CA C 55.9073 0.05 1 497 102 65 LYS CB C 29.8983 0.05 1 498 102 65 LYS CG C 22.0167 0.01 1 499 102 65 LYS CD C 26.3078 0.05 1 500 102 65 LYS N N 119.1186 0.01 1 501 103 66 ASN H H 7.8597 0.01 1 502 103 66 ASN HA H 4.6464 0.01 1 503 103 66 ASN HB2 H 2.3677 0.01 2 504 103 66 ASN HB3 H 2.178 0.01 2 505 103 66 ASN C C 170.4432 0.05 1 506 103 66 ASN CA C 48.7432 0.01 1 507 103 66 ASN CB C 36.1411 0.01 1 508 103 66 ASN N N 115.4009 0.01 1 509 104 67 ILE H H 7.7891 0.01 1 510 104 67 ILE HA H 3.3659 0.01 1 511 104 67 ILE HB H 1.4618 0.01 1 512 104 67 ILE HG12 H 1.4338 0.01 2 513 104 67 ILE HG13 H 0.8657 0.01 2 514 104 67 ILE HG2 H 0.7024 0.01 1 515 104 67 ILE HD1 H 0.7474 0.01 1 516 104 67 ILE C C 170.6954 0.05 1 517 104 67 ILE CA C 59.9071 0.01 1 518 104 67 ILE CB C 35.4639 0.01 1 519 104 67 ILE CG1 C 24.9096 0.01 1 520 104 67 ILE CG2 C 14.8915 0.01 1 521 104 67 ILE CD1 C 11.5408 0.01 1 522 104 67 ILE N N 123.1126 0.01 1 523 105 68 HIS H H 7.5872 0.01 1 524 105 68 HIS HA H 5.2539 0.01 1 525 105 68 HIS HB2 H 3.3926 0.01 2 526 105 68 HIS HB3 H 2.8678 0.01 2 527 105 68 HIS C C 171.3566 0.05 1 528 105 68 HIS CA C 49.4299 0.01 1 529 105 68 HIS CB C 30.9727 0.01 1 530 105 68 HIS N N 121.2358 0.01 1 531 106 69 LEU H H 9.0352 0.01 1 532 106 69 LEU HA H 4.4949 0.01 1 533 106 69 LEU HB2 H 1.8828 0.01 2 534 106 69 LEU HB3 H 1.6587 0.01 2 535 106 69 LEU HG H 1.3754 0.01 1 536 106 69 LEU HD1 H 0.8898 0.01 2 537 106 69 LEU HD2 H 0.7791 0.01 2 538 106 69 LEU C C 171.8341 0.05 1 539 106 69 LEU CA C 53.7639 0.01 1 540 106 69 LEU CB C 38.1699 0.01 1 541 106 69 LEU CG C 24.4688 0.05 1 542 106 69 LEU CD1 C 22.3433 0.01 1 543 106 69 LEU CD2 C 22.7848 0.01 1 544 106 69 LEU N N 120.5759 0.01 1 545 107 70 HIS H H 8.2759 0.01 1 546 107 70 HIS HA H 4.1306 0.01 1 547 107 70 HIS HB2 H 2.5535 0.01 2 548 107 70 HIS HB3 H 2.2666 0.01 2 549 107 70 HIS C C 171.5245 0.05 1 550 107 70 HIS CA C 54.1172 0.01 1 551 107 70 HIS CB C 30.3193 0.01 1 552 107 70 HIS N N 121.4824 0.01 1 553 108 71 ALA H H 6.713 0.01 1 554 108 71 ALA HA H 4.1678 0.01 1 555 108 71 ALA HB H 1.1959 0.01 1 556 108 71 ALA C C 175.2444 0.01 1 557 108 71 ALA CA C 50.2334 0.01 1 558 108 71 ALA CB C 18.67 0.01 1 559 108 71 ALA N N 123.3662 0.01 1 560 109 72 HIS H H 10.0973 0.01 1 561 109 72 HIS HA H 4.9809 0.01 1 562 109 72 HIS HB2 H 2.7391 0.01 2 563 109 72 HIS HB3 H 2.3374 0.01 2 564 109 72 HIS C C 172.1175 0.05 1 565 109 72 HIS CA C 53.0738 0.01 1 566 109 72 HIS CB C 28.2334 0.01 1 567 109 72 HIS N N 121.4075 0.01 1 568 110 73 SER H H 8.2126 0.01 1 569 110 73 SER HA H 4.8324 0.01 1 570 110 73 SER HB2 H 3.6402 0.01 2 571 110 73 SER HB3 H 3.6402 0.01 2 572 110 73 SER C C 170.8617 0.05 1 573 110 73 SER CA C 55.4372 0.01 1 574 110 73 SER CB C 63.419 0.01 1 575 110 73 SER N N 112.495 0.01 1 576 111 74 LEU H H 7.5019 0.01 1 577 111 74 LEU HA H 4.6727 0.01 1 578 111 74 LEU HB2 H 1.7114 0.01 2 579 111 74 LEU HB3 H 1.3196 0.01 2 580 111 74 LEU HG H 1.5 0.05 1 581 111 74 LEU HD1 H 0.6736 0.01 2 582 111 74 LEU HD2 H 0.6701 0.01 2 583 111 74 LEU C C 173.2372 0.05 1 584 111 74 LEU CA C 51.9527 0.01 1 585 111 74 LEU CB C 40.5981 0.01 1 586 111 74 LEU CD1 C 21.7815 0.01 1 587 111 74 LEU CD2 C 21.484 0.01 1 588 111 74 LEU N N 124.056 0.01 1 589 112 75 VAL H H 7.983 0.01 1 590 112 75 VAL HA H 4.3156 0.01 1 591 112 75 VAL HB H 1.9874 0.01 1 592 112 75 VAL HG1 H 0.5821 0.01 2 593 112 75 VAL HG2 H 0.7033 0.01 2 594 112 75 VAL C C 171.1445 0.05 1 595 112 75 VAL CA C 56.7979 0.01 1 596 112 75 VAL CB C 32.9702 0.01 1 597 112 75 VAL CG1 C 15.597 0.01 1 598 112 75 VAL CG2 C 19.9774 0.01 1 599 112 75 VAL N N 115.8551 0.01 1 600 113 76 GLY H H 8.0878 0.01 1 601 113 76 GLY HA2 H 5.0366 0.01 1 602 113 76 GLY HA3 H 3.6018 0.01 1 603 113 76 GLY CA C 40.3274 0.01 1 604 113 76 GLY N N 107.0464 0.01 1 605 114 77 LYS H H 7.8855 0.01 1 606 114 77 LYS N N 121.4752 0.01 1 607 115 78 HIS HA H 5.0142 0.01 1 608 115 78 HIS HB2 H 3.2268 0.01 2 609 115 78 HIS HB3 H 2.4155 0.01 2 610 115 78 HIS CA C 53.0978 0.01 1 611 115 78 HIS CB C 35.8617 0.01 1 612 116 79 CYS H H 7.6806 0.01 1 613 116 79 CYS HA H 5.388 0.01 1 614 116 79 CYS HB2 H 3.0569 0.01 2 615 116 79 CYS HB3 H 2.2204 0.01 2 616 116 79 CYS C C 172.3944 0.05 1 617 116 79 CYS CA C 55.7714 0.01 1 618 116 79 CYS CB C 27.2223 0.01 1 619 116 79 CYS N N 115.2841 0.01 1 620 117 80 GLU H H 8.5104 0.01 1 621 117 80 GLU HA H 4.4385 0.01 1 622 117 80 GLU HB2 H 1.9813 0.01 2 623 117 80 GLU HG2 H 2.2198 0.01 2 624 117 80 GLU C C 173.1287 0.05 1 625 117 80 GLU CA C 53.6045 0.01 1 626 117 80 GLU CB C 30.0892 0.01 1 627 117 80 GLU CG C 33.403 0.01 1 628 117 80 GLU N N 122.907 0.01 1 629 118 81 ASP H H 9.4046 0.01 1 630 118 81 ASP HA H 4.2901 0.01 1 631 118 81 ASP HB2 H 2.9893 0.01 2 632 118 81 ASP HB3 H 2.6613 0.01 2 633 118 81 ASP C C 172.5199 0.05 1 634 118 81 ASP CA C 52.9928 0.01 1 635 118 81 ASP CB C 37.1393 0.01 1 636 118 81 ASP N N 124.2275 0.01 1 637 119 82 GLY H H 8.7553 0.01 1 638 119 82 GLY HA2 H 4.0586 0.01 1 639 119 82 GLY C C 171.2684 0.05 1 640 119 82 GLY CA C 43.3363 0.01 1 641 119 82 GLY N N 101.5204 0.01 1 642 120 83 VAL H H 7.6139 0.01 1 643 120 83 VAL HA H 4.5306 0.01 1 644 120 83 VAL HB H 2.0344 0.01 1 645 120 83 VAL HG1 H 1.0515 0.01 2 646 120 83 VAL HG2 H 0.779 0.01 2 647 120 83 VAL C C 172.9261 0.05 1 648 120 83 VAL CA C 58.3593 0.01 1 649 120 83 VAL CB C 33.3219 0.01 1 650 120 83 VAL CG1 C 19.6758 0.01 1 651 120 83 VAL CG2 C 18.3509 0.01 1 652 120 83 VAL N N 120.9959 0.01 1 653 121 84 CYS H H 8.1408 0.01 1 654 121 84 CYS HA H 5.0493 0.01 1 655 121 84 CYS HB2 H 2.8296 0.01 2 656 121 84 CYS HB3 H 2.387 0.01 2 657 121 84 CYS C C 171.211 0.05 1 658 121 84 CYS CA C 54.9158 0.01 1 659 121 84 CYS CB C 26.2351 0.01 1 660 121 84 CYS N N 128.5537 0.01 1 661 122 85 THR H H 8.3656 0.01 1 662 122 85 THR HA H 5.2139 0.01 1 663 122 85 THR HB H 3.9536 0.01 1 664 122 85 THR HG2 H 1.048 0.01 1 665 122 85 THR C C 170.7826 0.05 1 666 122 85 THR CA C 59.3311 0.01 1 667 122 85 THR CB C 67.7281 0.01 1 668 122 85 THR CG2 C 18.2075 0.01 1 669 122 85 THR N N 124.2706 0.01 1 670 123 86 VAL H H 9.1235 0.01 1 671 123 86 VAL HA H 4.5032 0.01 1 672 123 86 VAL HB H 1.9412 0.01 1 673 123 86 VAL HG1 H 0.6683 0.01 2 674 123 86 VAL HG2 H 0.679 0.01 2 675 123 86 VAL C C 172.041 0.05 1 676 123 86 VAL CA C 56.3719 0.01 1 677 123 86 VAL CB C 33.4338 0.01 1 678 123 86 VAL CG1 C 17.7575 0.01 1 679 123 86 VAL CG2 C 19.0447 0.01 1 680 123 86 VAL N N 120.3651 0.01 1 681 124 87 THR H H 7.9514 0.01 1 682 124 87 THR HA H 4.7473 0.01 1 683 124 87 THR HB H 4.0711 0.01 1 684 124 87 THR HG2 H 1.075 0.01 1 685 124 87 THR C C 170.6137 0.05 1 686 124 87 THR CA C 58.3163 0.01 1 687 124 87 THR CB C 67.3685 0.01 1 688 124 87 THR CG2 C 18.9384 0.01 1 689 124 87 THR N N 114.8818 0.01 1 690 125 88 ALA H H 8.5153 0.01 1 691 125 88 ALA HA H 4.7103 0.01 1 692 125 88 ALA HB H 1.0677 0.01 1 693 125 88 ALA C C 174.4585 0.05 1 694 125 88 ALA CA C 46.9588 0.01 1 695 125 88 ALA CB C 20.3219 0.01 1 696 125 88 ALA N N 124.9284 0.01 1 697 126 89 GLY H H 7.6933 0.01 1 698 126 89 GLY HA2 H 4.287 0.01 1 699 126 89 GLY HA3 H 3.4442 0.01 1 700 126 89 GLY C C 170.4975 0.05 1 701 126 89 GLY CA C 42.287 0.01 1 702 126 89 GLY N N 106.1272 0.01 1 703 127 90 PRO HA H 3.9515 0.01 1 704 127 90 PRO HB2 H 2.1279 0.01 2 705 127 90 PRO HG2 H 1.9518 0.01 2 706 127 90 PRO HG3 H 1.7099 0.01 2 707 127 90 PRO HD2 H 3.609 0.01 2 708 127 90 PRO HD3 H 3.5816 0.01 2 709 127 90 PRO C C 171.7316 0.05 1 710 127 90 PRO CA C 61.0534 0.01 1 711 127 90 PRO CB C 31.8042 0.01 1 712 127 90 PRO CG C 22.0229 0.01 1 713 127 90 PRO CD C 47.1683 0.01 1 714 128 91 LYS H H 8.0555 0.01 1 715 128 91 LYS HA H 4.3704 0.01 1 716 128 91 LYS HB2 H 1.5685 0.01 2 717 128 91 LYS HB3 H 1.6937 0.01 2 718 128 91 LYS HG2 H 1.2882 0.01 2 719 128 91 LYS HG3 H 1.21 0.01 2 720 128 91 LYS HD2 H 1.5754 0.01 2 721 128 91 LYS HE2 H 2.8855 0.01 2 722 128 91 LYS C C 172.2505 0.05 1 723 128 91 LYS CA C 54.1619 0.01 1 724 128 91 LYS CB C 32.1191 0.01 1 725 128 91 LYS CG C 22.3321 0.01 1 726 128 91 LYS CD C 26.1314 0.01 1 727 128 91 LYS CE C 39.1285 0.01 1 728 128 91 LYS N N 119.7063 0.01 1 729 129 92 ASP H H 8.3648 0.01 1 730 129 92 ASP HA H 4.5326 0.01 1 731 129 92 ASP HB2 H 2.8412 0.01 2 732 129 92 ASP HB3 H 2.4849 0.01 2 733 129 92 ASP C C 173.8051 0.05 1 734 129 92 ASP CA C 51.1784 0.01 1 735 129 92 ASP CB C 37.9846 0.01 1 736 129 92 ASP N N 119.898 0.01 1 737 130 93 MET H H 8.5399 0.01 1 738 130 93 MET HA H 4.6131 0.01 1 739 130 93 MET HB2 H 1.8883 0.01 2 740 130 93 MET HB3 H 2.7122 0.01 2 741 130 93 MET HG2 H 3.2711 0.01 2 742 130 93 MET HG3 H 2.4405 0.01 2 743 130 93 MET C C 172.4322 0.05 1 744 130 93 MET CA C 50.0869 0.01 1 745 130 93 MET CB C 26.1327 0.01 1 746 130 93 MET CG C 27.2571 0.01 1 747 130 93 MET N N 123.8458 0.01 1 748 131 94 VAL H H 7.5045 0.01 1 749 131 94 VAL HA H 4.4679 0.01 1 750 131 94 VAL HB H 2.0277 0.01 1 751 131 94 VAL HG1 H 0.8344 0.05 2 752 131 94 VAL HG2 H 0.7346 0.05 2 753 131 94 VAL C C 173.4409 0.05 1 754 131 94 VAL CA C 59.1858 0.01 1 755 131 94 VAL CB C 28.8574 0.01 1 756 131 94 VAL CG1 C 18.8641 0.05 1 757 131 94 VAL CG2 C 18.8641 0.05 1 758 131 94 VAL N N 119.6568 0.01 1 759 132 95 VAL H H 8.9647 0.01 1 760 132 95 VAL HA H 4.1261 0.01 1 761 132 95 VAL HB H 1.6157 0.01 1 762 132 95 VAL HG1 H 0.607 0.01 2 763 132 95 VAL HG2 H 0.3135 0.01 2 764 132 95 VAL C C 171.0361 0.05 1 765 132 95 VAL CA C 58.078 0.01 1 766 132 95 VAL CB C 31.2129 0.01 1 767 132 95 VAL CG1 C 18.1685 0.01 1 768 132 95 VAL CG2 C 19.6553 0.01 1 769 132 95 VAL N N 127.5285 0.01 1 770 133 96 GLY H H 8.1403 0.01 1 771 133 96 GLY HA2 H 4.8319 0.01 1 772 133 96 GLY HA3 H 3.3969 0.01 1 773 133 96 GLY C C 170.3207 0.05 1 774 133 96 GLY CA C 40.7376 0.01 1 775 133 96 GLY N N 112.3913 0.01 1 776 134 97 PHE H H 7.8821 0.01 1 777 134 97 PHE HA H 4.5015 0.01 1 778 134 97 PHE HB2 H 2.9678 0.01 2 779 134 97 PHE HB3 H 2.6533 0.01 2 780 134 97 PHE C C 171.7808 0.05 1 781 134 97 PHE CA C 53.8995 0.01 1 782 134 97 PHE CB C 36.697 0.01 1 783 134 97 PHE N N 119.2609 0.01 1 784 135 98 ALA H H 7.6983 0.01 1 785 135 98 ALA HA H 3.6108 0.01 1 786 135 98 ALA HB H 0.5781 0.01 1 787 135 98 ALA C C 174.0182 0.05 1 788 135 98 ALA CA C 49.3562 0.01 1 789 135 98 ALA CB C 16.4458 0.01 1 790 135 98 ALA N N 124.0406 0.01 1 791 136 99 ASN HA H 4.3928 0.01 1 792 136 99 ASN HB2 H 2.5649 0.01 2 793 136 99 ASN HB3 H 2.9636 0.01 2 794 136 99 ASN C C 171.59 0.05 1 795 136 99 ASN CA C 51.1062 0.01 1 796 136 99 ASN CB C 36.3162 0.01 1 797 137 100 LEU H H 8.6774 0.01 1 798 137 100 LEU HA H 4.9419 0.01 1 799 137 100 LEU HB2 H 1.2354 0.01 2 800 137 100 LEU HB3 H 1.3339 0.01 2 801 137 100 LEU HG H 1.3826 0.01 1 802 137 100 LEU HD1 H 0.5532 0.01 2 803 137 100 LEU C C 173.081 0.05 1 804 137 100 LEU CA C 51.8545 0.01 1 805 137 100 LEU CB C 39.8015 0.01 1 806 137 100 LEU CG C 24.1338 0.01 1 807 137 100 LEU CD1 C 23.3346 0.01 1 808 137 100 LEU N N 120.624 0.01 1 809 138 101 GLY H H 8.7186 0.01 1 810 138 101 GLY HA2 H 4.514 0.01 1 811 138 101 GLY HA3 H 3.5302 0.01 1 812 138 101 GLY C C 169.3499 0.05 1 813 138 101 GLY CA C 40.7751 0.01 1 814 138 101 GLY N N 110.2434 0.01 1 815 139 102 ILE H H 7.1255 0.01 1 816 139 102 ILE HA H 4.4454 0.01 1 817 139 102 ILE HB H 1.1923 0.01 1 818 139 102 ILE HG12 H 1.1564 0.01 2 819 139 102 ILE HG13 H 0.552 0.01 2 820 139 102 ILE HG2 H -0.3548 0.01 1 821 139 102 ILE HD1 H 0.3844 0.01 1 822 139 102 ILE C C 171.0146 0.05 1 823 139 102 ILE CA C 57.5887 0.01 1 824 139 102 ILE CB C 38.0622 0.01 1 825 139 102 ILE CG1 C 25.1147 0.01 1 826 139 102 ILE CG2 C 13.4643 0.01 1 827 139 102 ILE CD1 C 11.7784 0.01 1 828 139 102 ILE N N 116.3807 0.01 1 829 140 103 LEU H H 9.1371 0.01 1 830 140 103 LEU HA H 4.6562 0.01 1 831 140 103 LEU HB2 H 1.5757 0.01 2 832 140 103 LEU HB3 H 1.097 0.01 2 833 140 103 LEU HG H 1.3464 0.01 1 834 140 103 LEU HD1 H 0.7119 0.01 2 835 140 103 LEU HD2 H 0.7117 0.01 2 836 140 103 LEU C C 172.8349 0.05 1 837 140 103 LEU CA C 50.0613 0.01 1 838 140 103 LEU CB C 42.0568 0.01 1 839 140 103 LEU CG C 24.1183 0.01 1 840 140 103 LEU CD1 C 22.4259 0.01 1 841 140 103 LEU CD2 C 22.6926 0.01 1 842 140 103 LEU N N 130.8105 0.01 1 843 142 105 VAL H H 9.1084 0.01 1 844 142 105 VAL HA H 4.2766 0.01 1 845 142 105 VAL HB H 2.1528 0.01 1 846 142 105 VAL HG1 H 1.1301 0.01 2 847 142 105 VAL HG2 H 0.9276 0.01 2 848 142 105 VAL C C 171.728 0.05 1 849 142 105 VAL CA C 59.05 0.01 1 850 142 105 VAL CB C 29.8613 0.01 1 851 142 105 VAL CG1 C 19.4739 0.01 1 852 142 105 VAL CG2 C 18.0747 0.01 1 853 142 105 VAL N N 121.9053 0.01 1 854 143 106 THR H H 8.0612 0.01 1 855 143 106 THR HA H 4.4606 0.01 1 856 143 106 THR HB H 4.1997 0.01 1 857 143 106 THR HG2 H 1.3578 0.01 1 858 143 106 THR C C 170.5622 0.05 1 859 143 106 THR CA C 60.4224 0.01 1 860 143 106 THR CB C 66.6757 0.01 1 861 143 106 THR CG2 C 19.6937 0.01 1 862 143 106 THR N N 116.7783 0.01 1 863 146 109 LYS HA H 4.9434 0.01 1 864 146 109 LYS HB2 H 1.6673 0.05 2 865 146 109 LYS HE2 H 2.9324 0.05 2 866 146 109 LYS C C 175.0508 0.05 1 867 146 109 LYS CA C 52.0541 0.01 1 868 146 109 LYS CB C 29.8983 0.05 1 869 146 109 LYS CG C 22.2794 0.05 1 870 147 110 VAL H H 7.6868 0.01 1 871 147 110 VAL HA H 3.306 0.01 1 872 147 110 VAL HB H 2.167 0.01 1 873 147 110 VAL HG1 H 0.9629 0.01 2 874 147 110 VAL HG2 H 1.1572 0.01 2 875 147 110 VAL C C 173.5596 0.05 1 876 147 110 VAL CA C 65.9537 0.05 1 877 147 110 VAL CB C 28.6192 0.01 1 878 147 110 VAL CG1 C 19.8329 0.01 1 879 147 110 VAL CG2 C 20.947 0.01 1 880 147 110 VAL N N 124.449 0.01 1 881 148 111 PHE H H 8.6139 0.01 1 882 148 111 PHE HA H 4.175 0.01 1 883 148 111 PHE HB2 H 3.3364 0.01 2 884 148 111 PHE HB3 H 2.9426 0.01 2 885 148 111 PHE C C 174.0635 0.05 1 886 148 111 PHE CA C 58.8166 0.01 1 887 148 111 PHE CB C 35.4619 0.01 1 888 148 111 PHE N N 119.1238 0.01 1 889 149 112 GLU H H 9.0009 0.01 1 890 149 112 GLU HA H 3.6247 0.01 1 891 149 112 GLU HB2 H 2.0187 0.01 2 892 149 112 GLU HB3 H 1.9457 0.01 2 893 149 112 GLU HG2 H 2.306 0.05 2 894 149 112 GLU HG3 H 2.4379 0.05 2 895 149 112 GLU C C 177.5449 0.05 1 896 149 112 GLU CA C 56.7774 0.01 1 897 149 112 GLU CB C 26.7905 0.01 1 898 149 112 GLU N N 117.9496 0.01 1 899 150 113 THR H H 7.8155 0.01 1 900 150 113 THR HA H 3.9021 0.01 1 901 150 113 THR HB H 4.1704 0.01 1 902 150 113 THR HG2 H 1.3162 0.01 1 903 150 113 THR C C 172.8605 0.05 1 904 150 113 THR CA C 64.0431 0.01 1 905 150 113 THR CB C 66.0589 0.01 1 906 150 113 THR CG2 C 18.5242 0.01 1 907 150 113 THR N N 116.9352 0.01 1 908 151 114 LEU H H 8.667 0.01 1 909 151 114 LEU HA H 3.8143 0.01 1 910 151 114 LEU HB2 H 1.6166 0.01 2 911 151 114 LEU HB3 H 1.412 0.01 2 912 151 114 LEU HD1 H 0.7085 0.01 2 913 151 114 LEU HD2 H 0.7974 0.01 2 914 151 114 LEU C C 175.7783 0.05 1 915 151 114 LEU CA C 55.5702 0.01 1 916 151 114 LEU CB C 39.7959 0.01 1 917 151 114 LEU CD1 C 22.2276 0.01 1 918 151 114 LEU CD2 C 21.1205 0.01 1 919 151 114 LEU N N 122.7768 0.01 1 920 152 115 GLU H H 8.6112 0.01 1 921 152 115 GLU HA H 3.4204 0.01 1 922 152 115 GLU HB2 H 1.1633 0.01 2 923 152 115 GLU HB3 H 1.6152 0.01 2 924 152 115 GLU HG2 H 1.8455 0.01 2 925 152 115 GLU HG3 H 1.8901 0.01 2 926 152 115 GLU C C 177.096 0.05 1 927 152 115 GLU CA C 57.7861 0.01 1 928 152 115 GLU CB C 26.2657 0.01 1 929 152 115 GLU CG C 34.3371 0.01 1 930 152 115 GLU N N 118.3671 0.01 1 931 153 116 ALA H H 7.397 0.01 1 932 153 116 ALA HA H 4.1101 0.01 1 933 153 116 ALA HB H 1.4923 0.01 1 934 153 116 ALA C C 177.4061 0.05 1 935 153 116 ALA CA C 52.8647 0.01 1 936 153 116 ALA CB C 15.0392 0.01 1 937 153 116 ALA N N 123.0391 0.01 1 938 154 117 ARG H H 8.4994 0.01 1 939 154 117 ARG HA H 4.1954 0.05 1 940 154 117 ARG HB2 H 1.8905 0.05 2 941 154 117 ARG HB3 H 1.9907 0.05 2 942 154 117 ARG C C 178.0086 0.05 1 943 154 117 ARG CA C 55.2943 0.05 1 944 154 117 ARG CB C 27.0084 0.05 1 945 154 117 ARG CG C 24.2936 0.05 1 946 154 117 ARG N N 119.4898 0.01 1 947 155 118 MET H H 9.0699 0.01 1 948 155 118 MET HA H 3.6628 0.01 1 949 155 118 MET HB2 H 2.0945 0.05 2 950 155 118 MET HB3 H 1.7605 0.05 2 951 155 118 MET C C 175.4034 0.05 1 952 155 118 MET CA C 57.2547 0.01 1 953 155 118 MET CB C 25.8585 0.05 1 954 155 118 MET CG C 31.7814 0.05 1 955 155 118 MET N N 119.0877 0.01 1 956 156 119 THR H H 7.9282 0.01 1 957 156 119 THR HA H 3.6137 0.01 1 958 156 119 THR HB H 4.4165 0.01 1 959 156 119 THR HG2 H 1.1353 0.01 1 960 156 119 THR C C 173.2076 0.05 1 961 156 119 THR CA C 65.4041 0.01 1 962 156 119 THR CB C 65.7765 0.01 1 963 156 119 THR CG2 C 17.9638 0.01 1 964 156 119 THR N N 117.9341 0.01 1 965 157 120 GLU H H 7.921 0.01 1 966 157 120 GLU HA H 3.8744 0.05 1 967 157 120 GLU C C 175.5878 0.05 1 968 157 120 GLU CA C 56.3761 0.05 1 969 157 120 GLU CB C 25.9649 0.05 1 970 157 120 GLU N N 120.2405 0.01 1 971 158 121 ALA H H 7.9189 0.01 1 972 158 121 ALA HA H 3.8965 0.01 1 973 158 121 ALA HB H 1.4639 0.01 1 974 158 121 ALA C C 178.1741 0.05 1 975 158 121 ALA CA C 53.1571 0.01 1 976 158 121 ALA CB C 14.2706 0.01 1 977 158 121 ALA N N 119.9537 0.01 1 978 159 122 CYS H H 7.7122 0.01 1 979 159 122 CYS HA H 3.8681 0.01 1 980 159 122 CYS HB2 H 2.5353 0.01 2 981 159 122 CYS HB3 H 3.2257 0.01 2 982 159 122 CYS C C 173.2319 0.05 1 983 159 122 CYS CA C 61.3141 0.01 1 984 159 122 CYS CB C 24.991 0.01 1 985 159 122 CYS N N 115.096 0.01 1 986 160 123 ILE H H 8.0738 0.01 1 987 160 123 ILE HA H 3.4432 0.01 1 988 160 123 ILE HB H 1.7133 0.01 1 989 160 123 ILE HG12 H 1.0137 0.01 2 990 160 123 ILE HG13 H 1.62 0.01 2 991 160 123 ILE HG2 H 0.8044 0.01 1 992 160 123 ILE HD1 H 0.7557 0.01 1 993 160 123 ILE C C 175.2795 0.05 1 994 160 123 ILE CA C 62.5263 0.01 1 995 160 123 ILE CB C 35.4807 0.01 1 996 160 123 ILE CG1 C 26.438 0.01 1 997 160 123 ILE CG2 C 14.3659 0.01 1 998 160 123 ILE CD1 C 11.1658 0.01 1 999 160 123 ILE N N 119.7962 0.01 1 1000 161 124 ARG H H 7.6859 0.01 1 1001 161 124 ARG HA H 3.8441 0.01 1 1002 161 124 ARG HB2 H 0.626 0.01 2 1003 161 124 ARG HB3 H 0.5042 0.01 2 1004 161 124 ARG HG2 H 1.3577 0.01 2 1005 161 124 ARG HD2 H 2.8445 0.01 2 1006 161 124 ARG HD3 H 2.7903 0.01 2 1007 161 124 ARG C C 173.6374 0.05 1 1008 161 124 ARG CA C 53.2825 0.01 1 1009 161 124 ARG CB C 26.2202 0.01 1 1010 161 124 ARG CG C 24.9942 0.01 1 1011 161 124 ARG CD C 40.2318 0.01 1 1012 161 124 ARG N N 113.3055 0.01 1 1013 162 125 GLY H H 7.0891 0.01 1 1014 162 125 GLY HA2 H 3.8885 0.01 1 1015 162 125 GLY HA3 H 3.4431 0.01 1 1016 162 125 GLY C C 172.738 0.05 1 1017 162 125 GLY CA C 43.4156 0.01 1 1018 162 125 GLY N N 105.6881 0.01 1 1019 163 126 TYR H H 8.3537 0.01 1 1020 163 126 TYR HA H 4.9889 0.01 1 1021 163 126 TYR HB2 H 2.949 0.01 2 1022 163 126 TYR HB3 H 2.949 0.01 2 1023 163 126 TYR C C 170.9319 0.05 1 1024 163 126 TYR CA C 48.8213 0.01 1 1025 163 126 TYR CB C 32.4931 0.01 1 1026 163 126 TYR N N 122.0135 0.01 1 1027 164 127 ASN H H 8.0169 0.01 1 1028 164 127 ASN HA H 4.6851 0.01 1 1029 164 127 ASN HB2 H 2.872 0.01 2 1030 164 127 ASN HB3 H 2.872 0.01 2 1031 164 127 ASN C C 170.0611 0.05 1 1032 164 127 ASN CA C 50.5654 0.01 1 1033 164 127 ASN CB C 35.8182 0.01 1 1034 164 127 ASN N N 114.0341 0.01 1 1035 165 128 PRO HA H 3.9847 0.01 1 1036 165 128 PRO HB2 H 2.0299 0.05 2 1037 165 128 PRO HB3 H 1.8142 0.05 2 1038 165 128 PRO HG2 H 1.9384 0.05 2 1039 165 128 PRO C C 175.8771 0.05 1 1040 165 128 PRO CA C 63.285 0.01 1 1041 165 128 PRO CB C 30.0734 0.05 1 1042 165 128 PRO CG C 25.9575 0.05 1 1043 166 129 GLY H H 8.592 0.01 1 1044 166 129 GLY HA2 H 3.2894 0.01 1 1045 166 129 GLY HA3 H 4.1412 0.01 1 1046 166 129 GLY C C 171.332 0.05 1 1047 166 129 GLY CA C 42.6231 0.01 1 1048 166 129 GLY N N 108.3773 0.01 1 1049 167 130 LEU H H 6.8051 0.01 1 1050 167 130 LEU HA H 4.164 0.01 1 1051 167 130 LEU HB2 H 1.4935 0.01 2 1052 167 130 LEU HB3 H 1.4034 0.01 2 1053 167 130 LEU HD1 H 0.5916 0.01 2 1054 167 130 LEU HD2 H 0.684 0.01 2 1055 167 130 LEU C C 175.0742 0.05 1 1056 167 130 LEU CA C 55.1619 0.01 1 1057 167 130 LEU CB C 41.36 0.01 1 1058 167 130 LEU CD1 C 23.3842 0.01 1 1059 167 130 LEU CD2 C 20.3109 0.01 1 1060 167 130 LEU N N 119.09 0.01 1 1061 168 131 LEU H H 7.6023 0.01 1 1062 168 131 LEU HA H 4.5853 0.01 1 1063 168 131 LEU HB2 H 1.4026 0.01 2 1064 168 131 LEU HB3 H 1.5785 0.01 2 1065 168 131 LEU HG H 1.5671 0.01 1 1066 168 131 LEU HD1 H 0.8218 0.01 2 1067 168 131 LEU HD2 H 0.5515 0.01 2 1068 168 131 LEU C C 175.615 0.05 1 1069 168 131 LEU CA C 53.1563 0.01 1 1070 168 131 LEU CB C 41.7215 0.01 1 1071 168 131 LEU CG C 24.2899 0.01 1 1072 168 131 LEU CD1 C 23.219 0.01 1 1073 168 131 LEU CD2 C 19.9474 0.01 1 1074 168 131 LEU N N 110.5397 0.01 1 1075 169 132 VAL H H 7.9758 0.01 1 1076 169 132 VAL HA H 4.0214 0.01 1 1077 169 132 VAL HB H 2.2777 0.01 1 1078 169 132 VAL HG1 H 0.8188 0.01 2 1079 169 132 VAL HG2 H 0.8651 0.01 2 1080 169 132 VAL C C 171.2458 0.05 1 1081 169 132 VAL CA C 62.5999 0.01 1 1082 169 132 VAL CB C 28.9099 0.01 1 1083 169 132 VAL CG1 C 19.1163 0.01 1 1084 169 132 VAL CG2 C 18.0591 0.01 1 1085 169 132 VAL N N 119.5578 0.01 1 1086 170 133 HIS H H 7.4439 0.01 1 1087 170 133 HIS HA H 4.2084 0.01 1 1088 170 133 HIS HB2 H 2.9915 0.01 2 1089 170 133 HIS HB3 H 2.4025 0.01 2 1090 170 133 HIS C C 173.0134 0.05 1 1091 170 133 HIS CA C 56.0477 0.01 1 1092 170 133 HIS CB C 31.2078 0.01 1 1093 170 133 HIS N N 114.5609 0.01 1 1094 171 134 SER H H 8.3822 0.01 1 1095 171 134 SER HA H 4.3111 0.01 1 1096 171 134 SER HB2 H 3.8732 0.01 2 1097 171 134 SER HB3 H 3.8732 0.01 2 1098 171 134 SER C C 174.6609 0.05 1 1099 171 134 SER CA C 56.1403 0.01 1 1100 171 134 SER CB C 60.3094 0.01 1 1101 171 134 SER N N 125.3499 0.01 1 1102 172 135 ASP H H 11.9247 0.01 1 1103 172 135 ASP HA H 4.6681 0.01 1 1104 172 135 ASP HB2 H 2.8255 0.01 2 1105 172 135 ASP HB3 H 2.7727 0.01 2 1106 172 135 ASP C C 175.0345 0.05 1 1107 172 135 ASP CA C 54.1775 0.01 1 1108 172 135 ASP CB C 37.5051 0.01 1 1109 172 135 ASP N N 126.9655 0.01 1 1110 173 136 LEU H H 8.0403 0.01 1 1111 173 136 LEU HA H 4.3758 0.01 1 1112 173 136 LEU HB2 H 1.6528 0.01 2 1113 173 136 LEU HG H 1.4568 0.01 1 1114 173 136 LEU HD1 H 0.8428 0.01 2 1115 173 136 LEU C C 174.0007 0.05 1 1116 173 136 LEU CA C 51.3217 0.01 1 1117 173 136 LEU CB C 37.9637 0.01 1 1118 173 136 LEU CG C 24.1338 0.01 1 1119 173 136 LEU CD1 C 24.4778 0.01 1 1120 173 136 LEU N N 115.7578 0.01 1 1121 174 137 ALA H H 7.3136 0.01 1 1122 174 137 ALA HA H 3.7782 0.01 1 1123 174 137 ALA HB H 1.5553 0.01 1 1124 174 137 ALA C C 175.3587 0.05 1 1125 174 137 ALA CA C 52.1045 0.01 1 1126 174 137 ALA CB C 15.9388 0.01 1 1127 174 137 ALA N N 120.0898 0.01 1 1128 175 138 TYR H H 7.214 0.01 1 1129 175 138 TYR HA H 4.4726 0.01 1 1130 175 138 TYR HB2 H 3.2216 0.01 2 1131 175 138 TYR HB3 H 2.9306 0.01 2 1132 175 138 TYR CA C 55.4695 0.01 1 1133 175 138 TYR CB C 34.2752 0.01 1 1134 175 138 TYR N N 113.371 0.01 1 1135 176 139 LEU H H 7.1258 0.01 1 1136 176 139 LEU HA H 4.1139 0.01 1 1137 176 139 LEU HB2 H 1.6618 0.01 2 1138 176 139 LEU HB3 H 1.3538 0.01 2 1139 176 139 LEU HG H 1.3789 0.05 1 1140 176 139 LEU HD1 H 0.6404 0.01 2 1141 176 139 LEU HD2 H 0.6928 0.01 2 1142 176 139 LEU C C 173.6682 0.05 1 1143 176 139 LEU CA C 52.4053 0.01 1 1144 176 139 LEU CB C 38.1142 0.01 1 1145 176 139 LEU CD1 C 24.1112 0.01 1 1146 176 139 LEU CD2 C 22.872 0.01 1 1147 176 139 LEU N N 124.4721 0.01 1 1148 177 140 GLN H H 7.7332 0.01 1 1149 177 140 GLN HA H 4.2947 0.05 1 1150 177 140 GLN HB2 H 2.089 0.05 2 1151 177 140 GLN HB3 H 2.3593 0.05 2 1152 177 140 GLN HG2 H 2.5648 0.05 2 1153 177 140 GLN C C 173.3806 0.05 1 1154 177 140 GLN CA C 52.7547 0.05 1 1155 177 140 GLN CB C 27.4462 0.05 1 1156 177 140 GLN CG C 31.387 0.05 1 1157 177 140 GLN N N 120.4075 0.01 1 1158 178 141 ALA H H 8.3041 0.01 1 1159 178 141 ALA HA H 4.3496 0.01 1 1160 178 141 ALA HB H 1.4354 0.01 1 1161 178 141 ALA C C 175.4904 0.05 1 1162 178 141 ALA CA C 50.4673 0.01 1 1163 178 141 ALA CB C 16.7074 0.01 1 1164 178 141 ALA N N 123.6196 0.01 1 1165 179 142 GLU H H 8.1867 0.01 1 1166 179 142 GLU C C 174.4128 0.05 1 1167 179 142 GLU CA C 53.837 0.05 1 1168 179 142 GLU CB C 27.3009 0.05 1 1169 179 142 GLU N N 119.4898 0.01 1 1170 180 143 GLY H H 8.4899 0.01 1 1171 180 143 GLY HA2 H 3.9116 0.01 1 1172 180 143 GLY C C 171.9463 0.05 1 1173 180 143 GLY CA C 42.8657 0.01 1 1174 180 143 GLY N N 110.751 0.01 1 1175 181 144 GLY H H 8.1612 0.01 1 1176 181 144 GLY HA2 H 3.9174 0.01 1 1177 181 144 GLY C C 171.3085 0.05 1 1178 181 144 GLY CA C 42.6716 0.01 1 1179 181 144 GLY N N 108.3773 0.01 1 1180 182 145 GLY H H 8.1484 0.01 1 1181 182 145 GLY HA2 H 3.7901 0.01 1 1182 182 145 GLY C C 171.1244 0.05 1 1183 182 145 GLY CA C 42.6069 0.01 1 1184 182 145 GLY N N 108.6792 0.01 1 1185 183 146 ASP H H 8.1037 0.01 1 1186 183 146 ASP HA H 4.5386 0.01 1 1187 183 146 ASP HB2 H 2.5166 0.01 2 1188 183 146 ASP HB3 H 2.4708 0.01 2 1189 183 146 ASP C C 173.0173 0.05 1 1190 183 146 ASP CA C 51.1893 0.01 1 1191 183 146 ASP CB C 38.1823 0.01 1 1192 183 146 ASP N N 120.1949 0.01 1 1193 184 147 ARG H H 7.6791 0.01 1 1194 184 147 ARG HA H 4.2332 0.01 1 1195 184 147 ARG HB2 H 1.7755 0.05 2 1196 184 147 ARG HB3 H 1.4511 0.05 2 1197 184 147 ARG HD2 H 3.1378 0.05 2 1198 184 147 ARG C C 172.3937 0.05 1 1199 184 147 ARG CA C 53.4079 0.01 1 1200 184 147 ARG CB C 28.6722 0.05 1 1201 184 147 ARG CG C 24.1185 0.05 1 1202 184 147 ARG CD C 40.8448 0.05 1 1203 184 147 ARG N N 121.2957 0.01 1 1204 185 148 GLN H H 8.3367 0.01 1 1205 185 148 GLN HA H 4.4142 0.01 1 1206 185 148 GLN HB2 H 1.8446 0.01 2 1207 185 148 GLN HB3 H 1.98 0.01 2 1208 185 148 GLN HG2 H 2.3098 0.01 2 1209 185 148 GLN C C 173.5928 0.05 1 1210 185 148 GLN CA C 51.4667 0.01 1 1211 185 148 GLN CB C 27.209 0.01 1 1212 185 148 GLN CG C 31.0752 0.01 1 1213 185 148 GLN N N 122.3741 0.01 1 1214 186 149 LEU H H 8.566 0.01 1 1215 186 149 LEU HA H 4.6701 0.01 1 1216 186 149 LEU HB2 H 1.5685 0.01 2 1217 186 149 LEU HG H 1.6224 0.01 1 1218 186 149 LEU HD1 H 0.6189 0.01 2 1219 186 149 LEU HD2 H 0.8573 0.01 2 1220 186 149 LEU C C 175.6216 0.05 1 1221 186 149 LEU CA C 51.5107 0.01 1 1222 186 149 LEU CB C 39.8077 0.01 1 1223 186 149 LEU CG C 24.1338 0.01 1 1224 186 149 LEU CD1 C 19.6066 0.01 1 1225 186 149 LEU CD2 C 24.7589 0.01 1 1226 186 149 LEU N N 124.1678 0.01 1 1227 187 150 THR H H 9.3605 0.01 1 1228 187 150 THR HA H 4.3908 0.01 1 1229 187 150 THR HB H 4.6973 0.01 1 1230 187 150 THR HG2 H 1.3058 0.01 1 1231 187 150 THR C C 172.6617 0.05 1 1232 187 150 THR CA C 57.5978 0.01 1 1233 187 150 THR CB C 68.6781 0.01 1 1234 187 150 THR CG2 C 18.8897 0.01 1 1235 187 150 THR N N 114.791 0.01 1 1236 188 151 ASP H H 8.78 0.01 1 1237 188 151 ASP HA H 4.2592 0.01 1 1238 188 151 ASP HB2 H 2.6513 0.01 2 1239 188 151 ASP HB3 H 2.5827 0.01 2 1240 188 151 ASP C C 176.453 0.05 1 1241 188 151 ASP CA C 55.1952 0.01 1 1242 188 151 ASP CB C 37.0166 0.01 1 1243 188 151 ASP N N 120.3186 0.01 1 1244 189 152 ARG H H 8.1948 0.01 1 1245 189 152 ARG HA H 4.0607 0.05 1 1246 189 152 ARG HB2 H 1.8577 0.05 2 1247 189 152 ARG HG2 H 1.5874 0.05 2 1248 189 152 ARG HD2 H 3.2768 0.05 2 1249 189 152 ARG HD3 H 3.0471 0.05 2 1250 189 152 ARG C C 175.967 0.05 1 1251 189 152 ARG CA C 55.9949 0.05 1 1252 189 152 ARG CB C 27.0959 0.05 1 1253 189 152 ARG CG C 24.2936 0.05 1 1254 189 152 ARG CD C 40.3194 0.05 1 1255 189 152 ARG N N 120.5104 0.01 1 1256 190 153 GLU H H 7.5788 0.01 1 1257 190 153 GLU HA H 3.7303 0.01 1 1258 190 153 GLU HB2 H 2.4256 0.01 2 1259 190 153 GLU HB3 H 1.649 0.01 2 1260 190 153 GLU HG2 H 2.4228 0.05 2 1261 190 153 GLU C C 175.9037 0.05 1 1262 190 153 GLU CA C 57.3371 0.01 1 1263 190 153 GLU CB C 26.1331 0.01 1 1264 190 153 GLU N N 119.5454 0.01 1 1265 191 154 LYS H H 8.206 0.01 1 1266 191 154 LYS C C 176.6912 0.05 1 1267 191 154 LYS CA C 57.4279 0.05 1 1268 191 154 LYS CB C 29.0151 0.05 1 1269 191 154 LYS N N 116.0433 0.01 1 1270 192 155 GLU H H 7.8124 0.01 1 1271 192 155 GLU HA H 4.2364 0.05 1 1272 192 155 GLU HB2 H 2.101 0.05 2 1273 192 155 GLU HG2 H 2.2632 0.05 2 1274 192 155 GLU C C 175.7599 0.05 1 1275 192 155 GLU CA C 56.0825 0.05 1 1276 192 155 GLU CB C 26.5705 0.05 1 1277 192 155 GLU CG C 32.7882 0.05 1 1278 192 155 GLU N N 121.7239 0.01 1 1279 193 156 ILE H H 7.7976 0.01 1 1280 193 156 ILE HA H 3.2864 0.01 1 1281 193 156 ILE HB H 1.7231 0.01 1 1282 193 156 ILE HG12 H 1.8009 0.01 2 1283 193 156 ILE HG13 H 0.5896 0.01 2 1284 193 156 ILE HG2 H 0.852 0.01 1 1285 193 156 ILE HD1 H 0.8284 0.01 1 1286 193 156 ILE C C 176.5472 0.05 1 1287 193 156 ILE CA C 63.3886 0.01 1 1288 193 156 ILE CB C 35.6374 0.01 1 1289 193 156 ILE CG1 C 28.0845 0.01 1 1290 193 156 ILE CG2 C 15.4639 0.01 1 1291 193 156 ILE CD1 C 13.4837 0.01 1 1292 193 156 ILE N N 121.8054 0.01 1 1293 194 157 ILE H H 7.9175 0.01 1 1294 194 157 ILE HA H 3.4631 0.01 1 1295 194 157 ILE HB H 1.8191 0.01 1 1296 194 157 ILE HG12 H 0.8016 0.01 2 1297 194 157 ILE HG13 H 1.7044 0.01 2 1298 194 157 ILE HG2 H 0.4872 0.01 1 1299 194 157 ILE HD1 H 0.6428 0.01 1 1300 194 157 ILE C C 173.8041 0.05 1 1301 194 157 ILE CA C 62.8776 0.01 1 1302 194 157 ILE CB C 35.088 0.01 1 1303 194 157 ILE CG1 C 26.1932 0.01 1 1304 194 157 ILE CG2 C 14.2409 0.01 1 1305 194 157 ILE CD1 C 10.9902 0.01 1 1306 194 157 ILE N N 119.9126 0.01 1 1307 195 158 ARG H H 7.9905 0.01 1 1308 195 158 ARG HA H 3.9216 0.01 1 1309 195 158 ARG C C 175.8098 0.05 1 1310 195 158 ARG CA C 55.8415 0.01 1 1311 195 158 ARG CB C 26.3563 0.05 1 1312 195 158 ARG CG C 22.0864 0.05 1 1313 195 158 ARG N N 118.9887 0.01 1 1314 196 159 GLN H H 8.0295 0.01 1 1315 196 159 GLN HA H 3.9487 0.01 1 1316 196 159 GLN HB2 H 2.0974 0.01 2 1317 196 159 GLN HB3 H 2.0974 0.01 2 1318 196 159 GLN HG2 H 2.3564 0.01 2 1319 196 159 GLN HG3 H 2.5462 0.01 2 1320 196 159 GLN C C 176.6785 0.01 1 1321 196 159 GLN CA C 56.3452 0.01 1 1322 196 159 GLN CB C 25.5971 0.01 1 1323 196 159 GLN CG C 31.2983 0.01 1 1324 196 159 GLN N N 115.6475 0.01 1 1325 197 160 ALA H H 8.1938 0.01 1 1326 197 160 ALA HA H 4.2428 0.01 1 1327 197 160 ALA HB H 1.4618 0.01 1 1328 197 160 ALA C C 176.8307 0.05 1 1329 197 160 ALA CA C 52.4262 0.01 1 1330 197 160 ALA CB C 14.7612 0.01 1 1331 197 160 ALA N N 123.3798 0.01 1 1332 198 161 ALA H H 8.9197 0.01 1 1333 198 161 ALA HA H 3.833 0.01 1 1334 198 161 ALA HB H 1.4151 0.01 1 1335 198 161 ALA C C 178.6813 0.05 1 1336 198 161 ALA CA C 53.1571 0.01 1 1337 198 161 ALA CB C 14.9248 0.01 1 1338 198 161 ALA N N 121.4189 0.01 1 1339 199 162 VAL H H 8.6992 0.01 1 1340 199 162 VAL HA H 3.5509 0.01 1 1341 199 162 VAL HB H 2.1727 0.01 1 1342 199 162 VAL HG1 H 0.9725 0.01 2 1343 199 162 VAL HG2 H 0.8504 0.01 2 1344 199 162 VAL C C 176.2248 0.05 1 1345 199 162 VAL CA C 64.6778 0.01 1 1346 199 162 VAL CB C 29.4959 0.01 1 1347 199 162 VAL CG1 C 20.7658 0.01 1 1348 199 162 VAL CG2 C 18.4642 0.01 1 1349 199 162 VAL N N 122.0818 0.01 1 1350 200 163 GLN H H 7.5994 0.01 1 1351 200 163 GLN HA H 3.9907 0.01 1 1352 200 163 GLN HB2 H 2.1946 0.01 2 1353 200 163 GLN HB3 H 2.1 0.01 2 1354 200 163 GLN HG2 H 2.4029 0.01 2 1355 200 163 GLN C C 176.4911 0.05 1 1356 200 163 GLN CA C 56.3034 0.01 1 1357 200 163 GLN CB C 25.8699 0.01 1 1358 200 163 GLN CG C 30.5988 0.01 1 1359 200 163 GLN N N 117.9032 0.01 1 1360 201 164 GLN H H 8.7314 0.01 1 1361 201 164 GLN HA H 3.8756 0.01 1 1362 201 164 GLN HB2 H 1.7151 0.01 2 1363 201 164 GLN HB3 H 2.0482 0.01 2 1364 201 164 GLN HG2 H 2.5192 0.01 1 1365 201 164 GLN HG3 H 1.9524 0.01 1 1366 201 164 GLN C C 177.3476 0.05 1 1367 201 164 GLN CA C 55.9708 0.01 1 1368 201 164 GLN CB C 25.5081 0.01 1 1369 201 164 GLN CG C 31.7814 0.01 1 1370 201 164 GLN N N 116.0239 0.01 1 1371 202 165 THR H H 7.9128 0.01 1 1372 202 165 THR HA H 3.6113 0.01 1 1373 202 165 THR HB H 4.2732 0.01 1 1374 202 165 THR HG2 H 1.1956 0.01 1 1375 202 165 THR C C 173.4348 0.05 1 1376 202 165 THR CA C 65.7379 0.01 1 1377 202 165 THR CB C 66.0076 0.01 1 1378 202 165 THR CG2 C 18.6948 0.01 1 1379 202 165 THR N N 118.5094 0.01 1 1380 203 166 LYS H H 6.7877 0.01 1 1381 203 166 LYS HA H 4.0878 0.05 1 1382 203 166 LYS HB2 H 1.9388 0.05 2 1383 203 166 LYS HG2 H 1.4388 0.05 2 1384 203 166 LYS HD2 H 1.628 0.05 2 1385 203 166 LYS HE2 H 2.939 0.05 2 1386 203 166 LYS C C 174.9146 0.05 1 1387 203 166 LYS CA C 56.0825 0.05 1 1388 203 166 LYS CB C 29.9858 0.05 1 1389 203 166 LYS CG C 22.4546 0.05 1 1390 203 166 LYS CD C 26.8332 0.05 1 1391 203 166 LYS CE C 39.7064 0.05 1 1392 203 166 LYS N N 117.2444 0.01 1 1393 204 167 GLU H H 6.8802 0.01 1 1394 204 167 GLU HA H 4.3908 0.01 1 1395 204 167 GLU HB2 H 2.1272 0.01 2 1396 204 167 GLU HB3 H 1.8471 0.01 2 1397 204 167 GLU HG2 H 2.2497 0.01 2 1398 204 167 GLU C C 173.5574 0.05 1 1399 204 167 GLU CA C 52.843 0.01 1 1400 204 167 GLU CB C 28.6708 0.01 1 1401 204 167 GLU CG C 33.3136 0.05 1 1402 204 167 GLU N N 113.6494 0.01 1 1403 205 168 MET H H 6.9042 0.01 1 1404 205 168 MET HA H 4.0176 0.01 1 1405 205 168 MET HB2 H 2.1129 0.05 2 1406 205 168 MET HB3 H 1.8932 0.05 2 1407 205 168 MET C C 171.9994 0.05 1 1408 205 168 MET CA C 54.1553 0.01 1 1409 205 168 MET CB C 28.6723 0.01 1 1410 205 168 MET N N 120.4617 0.01 1 1411 206 169 ASP H H 9.1355 0.01 1 1412 206 169 ASP HA H 4.918 0.01 1 1413 206 169 ASP HB2 H 2.6493 0.01 2 1414 206 169 ASP HB3 H 3.1446 0.01 2 1415 206 169 ASP C C 174.8148 0.05 1 1416 206 169 ASP CA C 50.0142 0.01 1 1417 206 169 ASP CB C 38.6255 0.01 1 1418 206 169 ASP N N 128.4782 0.01 1 1419 207 170 LEU H H 9.1443 0.01 1 1420 207 170 LEU HA H 4.1149 0.01 1 1421 207 170 LEU HB2 H 1.4898 0.01 2 1422 207 170 LEU HB3 H 1.4011 0.01 2 1423 207 170 LEU HG H 1.8988 0.01 1 1424 207 170 LEU HD1 H 1.1026 0.01 2 1425 207 170 LEU HD2 H 0.5811 0.01 2 1426 207 170 LEU C C 175.474 0.05 1 1427 207 170 LEU CA C 52.7131 0.01 1 1428 207 170 LEU CB C 39.8062 0.01 1 1429 207 170 LEU CG C 24.4217 0.01 1 1430 207 170 LEU CD1 C 22.9546 0.01 1 1431 207 170 LEU CD2 C 20.03 0.01 1 1432 207 170 LEU N N 123.2527 0.01 1 1433 208 171 SER H H 9.3096 0.01 1 1434 208 171 SER HA H 4.7926 0.01 1 1435 208 171 SER HB2 H 4.0915 0.01 2 1436 208 171 SER HB3 H 4.287 0.01 2 1437 208 171 SER C C 169.8773 0.05 1 1438 208 171 SER CA C 57.3601 0.01 1 1439 208 171 SER CB C 62.4899 0.01 1 1440 208 171 SER N N 116.8346 0.01 1 1441 209 172 VAL H H 7.1558 0.01 1 1442 209 172 VAL HA H 5.3446 0.01 1 1443 209 172 VAL HB H 1.9171 0.01 1 1444 209 172 VAL HG1 H 0.3809 0.01 2 1445 209 172 VAL HG2 H 0.7103 0.01 2 1446 209 172 VAL C C 169.8789 0.01 1 1447 209 172 VAL CA C 56.9957 0.01 1 1448 209 172 VAL CB C 31.15 0.01 1 1449 209 172 VAL CG1 C 19.4687 0.01 1 1450 209 172 VAL CG2 C 16.7558 0.01 1 1451 209 172 VAL N N 119.861 0.01 1 1452 210 173 VAL H H 8.2807 0.01 1 1453 210 173 VAL HA H 3.8895 0.01 1 1454 210 173 VAL HB H 2.1215 0.01 1 1455 210 173 VAL HG1 H 1.0275 0.01 2 1456 210 173 VAL HG2 H 0.9621 0.01 2 1457 210 173 VAL C C 170.9597 0.05 1 1458 210 173 VAL CA C 61.8004 0.01 1 1459 210 173 VAL CB C 30.3574 0.01 1 1460 210 173 VAL CG1 C 18.9287 0.01 1 1461 210 173 VAL CG2 C 18.2621 0.01 1 1462 210 173 VAL N N 116.7701 0.01 1 1463 211 174 ARG H H 8.3939 0.01 1 1464 211 174 ARG HA H 4.6764 0.01 1 1465 211 174 ARG HB2 H 2.2528 0.01 2 1466 211 174 ARG HB3 H 1.983 0.01 2 1467 211 174 ARG HG2 H 1.953 0.05 2 1468 211 174 ARG C C 171.23447 0.05 1 1469 211 174 ARG CA C 51.2438 0.01 1 1470 211 174 ARG CB C 30.721 0.01 1 1471 211 174 ARG N N 115.1817 0.01 1 1472 212 175 LEU H H 8.101 0.01 1 1473 212 175 LEU HA H 4.4994 0.01 1 1474 212 175 LEU HB2 H 0.219 0.01 2 1475 212 175 LEU HB3 H 1.2717 0.01 2 1476 212 175 LEU HG H 1.3766 0.01 1 1477 212 175 LEU HD1 H 0.4929 0.01 2 1478 212 175 LEU HD2 H 0.2716 0.01 2 1479 212 175 LEU C C 172.2767 0.05 1 1480 212 175 LEU CA C 50.2756 0.01 1 1481 212 175 LEU CB C 40.2044 0.01 1 1482 212 175 LEU CG C 23.884 0.01 1 1483 212 175 LEU CD1 C 22.4313 0.01 1 1484 212 175 LEU CD2 C 20.0077 0.01 1 1485 212 175 LEU N N 117.6774 0.01 1 1486 213 176 MET H H 8.7537 0.01 1 1487 213 176 MET HA H 5.0561 0.01 1 1488 213 176 MET HB2 H 1.8302 0.01 2 1489 213 176 MET HB3 H 1.4581 0.01 2 1490 213 176 MET HG2 H 2.1295 0.05 1 1491 213 176 MET C C 171.9612 0.05 1 1492 213 176 MET CA C 51.7532 0.01 1 1493 213 176 MET CB C 29.7234 0.01 1 1494 213 176 MET CG C 34.8899 0.05 1 1495 213 176 MET N N 121.2478 0.01 1 1496 214 177 PHE H H 9.2281 0.01 1 1497 214 177 PHE HA H 5.3079 0.01 1 1498 214 177 PHE HB2 H 2.8795 0.01 1 1499 214 177 PHE HB3 H 2.4933 0.01 2 1500 214 177 PHE C C 172.0584 0.05 1 1501 214 177 PHE CA C 53.3039 0.01 1 1502 214 177 PHE CB C 39.2119 0.01 1 1503 214 177 PHE N N 128.5759 0.01 1 1504 215 178 THR H H 8.6327 0.01 1 1505 215 178 THR HA H 4.6254 0.01 1 1506 215 178 THR HB H 3.5898 0.01 1 1507 215 178 THR HG2 H 0.7049 0.01 1 1508 215 178 THR C C 169.6099 0.05 1 1509 215 178 THR CA C 59.3439 0.01 1 1510 215 178 THR CB C 67.0347 0.01 1 1511 215 178 THR CG2 C 20.2053 0.01 1 1512 215 178 THR N N 117.9465 0.01 1 1513 216 179 ALA H H 8.3243 0.01 1 1514 216 179 ALA HA H 5.4902 0.01 1 1515 216 179 ALA HB H 1.0251 0.01 1 1516 216 179 ALA C C 171.8448 0.05 1 1517 216 179 ALA CA C 46.5787 0.01 1 1518 216 179 ALA CB C 19.6841 0.01 1 1519 216 179 ALA N N 126.5581 0.01 1 1520 217 180 PHE H H 9.2217 0.01 1 1521 217 180 PHE HA H 5.0525 0.01 1 1522 217 180 PHE HB2 H 2.6393 0.01 2 1523 217 180 PHE HB3 H 2.4906 0.01 2 1524 217 180 PHE C C 171.905 0.01 1 1525 217 180 PHE CA C 53.168 0.01 1 1526 217 180 PHE CB C 40.2231 0.01 1 1527 217 180 PHE N N 116.5022 0.01 1 1528 218 181 LEU H H 9.3472 0.01 1 1529 218 181 LEU HA H 4.745 0.01 1 1530 218 181 LEU HB2 H 1.4748 0.01 2 1531 218 181 LEU HB3 H 1.313 0.01 2 1532 218 181 LEU HG H 1.1525 0.01 1 1533 218 181 LEU HD1 H 0.0574 0.01 2 1534 218 181 LEU HD2 H 0.2721 0.01 2 1535 218 181 LEU CA C 49.2585 0.01 1 1536 218 181 LEU CB C 37.955 0.01 1 1537 218 181 LEU CG C 25.1947 0.01 1 1538 218 181 LEU CD1 C 20.2428 0.01 1 1539 218 181 LEU CD2 C 21.5246 0.01 1 1540 218 181 LEU N N 123.6748 0.01 1 1541 219 182 PRO HA H 4.5717 0.01 1 1542 219 182 PRO HB2 H 1.7698 0.01 2 1543 219 182 PRO HB3 H 1.4867 0.01 2 1544 219 182 PRO HG2 H 2.027 0.01 2 1545 219 182 PRO HG3 H 1.8341 0.01 2 1546 219 182 PRO HD2 H 3.9489 0.01 2 1547 219 182 PRO HD3 H 3.7023 0.01 2 1548 219 182 PRO C C 175.2195 0.05 1 1549 219 182 PRO CA C 59.4111 0.01 1 1550 219 182 PRO CB C 28.8474 0.01 1 1551 219 182 PRO CG C 25.1802 0.01 1 1552 219 182 PRO CD C 48.0337 0.01 1 1553 220 183 ASP H H 8.4976 0.01 1 1554 220 183 ASP HA H 4.7297 0.01 1 1555 220 183 ASP HB2 H 3.3755 0.01 2 1556 220 183 ASP HB3 H 2.5785 0.01 2 1557 220 183 ASP C C 175.8883 0.05 1 1558 220 183 ASP CA C 49.134 0.01 1 1559 220 183 ASP CB C 38.5621 0.01 1 1560 220 183 ASP N N 122.2231 0.01 1 1561 221 184 SER H H 8.4592 0.01 1 1562 221 184 SER HA H 4.195 0.01 1 1563 221 184 SER HB2 H 3.9797 0.01 2 1564 221 184 SER HB3 H 3.9228 0.01 2 1565 221 184 SER C C 173.0111 0.05 1 1566 221 184 SER CA C 58.9864 0.01 1 1567 221 184 SER CB C 60.093 0.01 1 1568 221 184 SER N N 113.9577 0.01 1 1569 222 185 THR H H 8.6549 0.01 1 1570 222 185 THR HA H 4.49 0.01 1 1571 222 185 THR HB H 4.3688 0.01 1 1572 222 185 THR HG2 H 1.1228 0.01 1 1573 222 185 THR C C 173.0673 0.05 1 1574 222 185 THR CA C 59.1361 0.01 1 1575 222 185 THR CB C 67.6253 0.01 1 1576 222 185 THR CG2 C 18.8653 0.01 1 1577 222 185 THR N N 112.5005 0.01 1 1578 223 186 GLY H H 7.8656 0.01 1 1579 223 186 GLY HA2 H 4.2983 0.01 1 1580 223 186 GLY HA3 H 3.3679 0.01 1 1581 223 186 GLY C C 171.1276 0.05 1 1582 223 186 GLY CA C 42.1379 0.01 1 1583 223 186 GLY N N 110.0238 0.01 1 1584 224 187 SER H H 7.4617 0.01 1 1585 224 187 SER HA H 4.2556 0.01 1 1586 224 187 SER HB2 H 3.7638 0.01 2 1587 224 187 SER HB3 H 3.7638 0.01 2 1588 224 187 SER C C 171.8806 0.01 1 1589 224 187 SER CA C 55.1966 0.01 1 1590 224 187 SER CB C 60.6775 0.01 1 1591 224 187 SER N N 116.3353 0.01 1 1592 225 188 PHE H H 8.8798 0.01 1 1593 225 188 PHE HA H 4.471 0.01 1 1594 225 188 PHE HB2 H 2.7994 0.01 2 1595 225 188 PHE HB3 H 2.7208 0.01 2 1596 225 188 PHE C C 172.3375 0.05 1 1597 225 188 PHE CA C 55.0598 0.01 1 1598 225 188 PHE CB C 34.4175 0.01 1 1599 225 188 PHE N N 125.3347 0.01 1 1600 226 189 THR H H 7.5487 0.01 1 1601 226 189 THR HA H 4.4888 0.01 1 1602 226 189 THR HB H 4.4349 0.01 1 1603 226 189 THR HG2 H 0.9274 0.01 1 1604 226 189 THR C C 172.4209 0.05 1 1605 226 189 THR CA C 58.3708 0.01 1 1606 226 189 THR CB C 68.0619 0.01 1 1607 226 189 THR CG2 C 18.2318 0.01 1 1608 226 189 THR N N 111.1434 0.01 1 1609 227 190 ARG H H 8.6409 0.01 1 1610 227 190 ARG HA H 4.5898 0.01 1 1611 227 190 ARG HB2 H 1.6454 0.01 2 1612 227 190 ARG HB3 H 1.6869 0.01 2 1613 227 190 ARG HG2 H 1.4793 0.05 2 1614 227 190 ARG HD2 H 3.1432 0.05 2 1615 227 190 ARG HD3 H 2.9928 0.05 2 1616 227 190 ARG C C 171.7484 0.05 1 1617 227 190 ARG CA C 52.6254 0.01 1 1618 227 190 ARG CB C 26.8466 0.01 1 1619 227 190 ARG CG C 23.8558 0.05 1 1620 227 190 ARG CD C 41.5454 0.05 1 1621 227 190 ARG N N 124.0171 0.01 1 1622 228 191 ARG H H 8.3358 0.01 1 1623 228 191 ARG HA H 4.0352 0.01 1 1624 228 191 ARG HB2 H 1.8538 0.01 2 1625 228 191 ARG HB3 H 1.6152 0.01 2 1626 228 191 ARG HG2 H 1.5095 0.01 2 1627 228 191 ARG HG3 H 0.7497 0.01 2 1628 228 191 ARG HD2 H 3.4 0.01 2 1629 228 191 ARG HD3 H 3.0489 0.01 2 1630 228 191 ARG C C 174.4295 0.05 1 1631 228 191 ARG CA C 53.8442 0.01 1 1632 228 191 ARG CB C 29.4187 0.01 1 1633 228 191 ARG CG C 23.6165 0.01 1 1634 228 191 ARG CD C 40.8723 0.01 1 1635 228 191 ARG N N 128.9924 0.01 1 1636 229 192 LEU H H 8.2218 0.01 1 1637 229 192 LEU HA H 4.5966 0.01 1 1638 229 192 LEU HB2 H 1.7935 0.01 2 1639 229 192 LEU HB3 H 1.4282 0.01 2 1640 229 192 LEU HG H 1.3985 0.01 1 1641 229 192 LEU HD1 H 0.4339 0.01 2 1642 229 192 LEU HD2 H 0.6038 0.01 2 1643 229 192 LEU C C 174.5374 0.05 1 1644 229 192 LEU CA C 50.4157 0.01 1 1645 229 192 LEU CB C 38.6031 0.01 1 1646 229 192 LEU CG C 24.0198 0.01 1 1647 229 192 LEU CD1 C 22.3223 0.01 1 1648 229 192 LEU CD2 C 18.7086 0.01 1 1649 229 192 LEU N N 127.0381 0.01 1 1650 230 193 GLU H H 7.8767 0.01 1 1651 230 193 GLU C C 173.2605 0.05 1 1652 230 193 GLU CA C 52.5637 0.05 1 1653 230 193 GLU CB C 26.3971 0.05 1 1654 230 193 GLU N N 122.115 0.01 1 1655 231 194 PRO HA H 4.9082 0.01 1 1656 231 194 PRO HB2 H 2.5257 0.01 2 1657 231 194 PRO HB3 H 2.1222 0.01 2 1658 231 194 PRO C C 174.4656 0.01 1 1659 231 194 PRO CA C 60.32 0.01 1 1660 231 194 PRO CB C 30.3335 0.01 1 1661 232 195 VAL H H 8.3899 0.01 1 1662 232 195 VAL HA H 4.6391 0.01 1 1663 232 195 VAL HB H 1.9647 0.01 1 1664 232 195 VAL HG1 H 0.9661 0.01 2 1665 232 195 VAL HG2 H 0.9623 0.01 2 1666 232 195 VAL C C 171.6107 0.05 1 1667 232 195 VAL CA C 57.4597 0.01 1 1668 232 195 VAL CB C 32.9504 0.01 1 1669 232 195 VAL CG1 C 19.2296 0.01 1 1670 232 195 VAL CG2 C 18.1358 0.01 1 1671 232 195 VAL N N 115.8487 0.01 1 1672 233 196 VAL H H 8.5357 0.01 1 1673 233 196 VAL HA H 4.9499 0.01 1 1674 233 196 VAL HB H 1.8259 0.01 1 1675 233 196 VAL HG1 H 0.8672 0.05 2 1676 233 196 VAL HG2 H 0.7699 0.05 2 1677 233 196 VAL C C 173.2171 0.05 1 1678 233 196 VAL CA C 57.8161 0.01 1 1679 233 196 VAL CB C 31.1769 0.01 1 1680 233 196 VAL CG1 C 19.302 0.05 1 1681 233 196 VAL CG2 C 19.302 0.05 1 1682 233 196 VAL N N 124.7845 0.01 1 1683 234 197 SER H H 9.4215 0.01 1 1684 234 197 SER HA H 4.6432 0.01 1 1685 234 197 SER HB2 H 4.5778 0.01 2 1686 234 197 SER HB3 H 3.8236 0.01 2 1687 234 197 SER C C 170.7656 0.05 1 1688 234 197 SER CA C 56.257 0.01 1 1689 234 197 SER CB C 64.3162 0.01 1 1690 234 197 SER N N 122.6771 0.01 1 1691 235 198 ASP H H 8.6688 0.01 1 1692 235 198 ASP HA H 4.477 0.01 1 1693 235 198 ASP HB2 H 2.3469 0.01 2 1694 235 198 ASP HB3 H 2.7818 0.01 2 1695 235 198 ASP C C 173.2132 0.05 1 1696 235 198 ASP CA C 51.9984 0.01 1 1697 235 198 ASP CB C 39.0412 0.01 1 1698 235 198 ASP N N 118.7073 0.01 1 1699 236 199 ALA H H 8.2963 0.01 1 1700 236 199 ALA HA H 4.1685 0.01 1 1701 236 199 ALA HB H 0.8585 0.01 1 1702 236 199 ALA C C 172.6777 0.05 1 1703 236 199 ALA CA C 49.8533 0.01 1 1704 236 199 ALA CB C 16.2659 0.01 1 1705 236 199 ALA N N 121.5069 0.01 1 1706 237 200 ILE H H 8.6072 0.01 1 1707 237 200 ILE HA H 4.4748 0.01 1 1708 237 200 ILE HB H 1.5158 0.01 1 1709 237 200 ILE HG12 H 1.5514 0.01 2 1710 237 200 ILE HG13 H 0.7665 0.01 2 1711 237 200 ILE HG2 H 0.9422 0.01 1 1712 237 200 ILE HD1 H 0.5539 0.01 1 1713 237 200 ILE C C 172.499 0.05 1 1714 237 200 ILE CA C 58.0525 0.01 1 1715 237 200 ILE CB C 37.8896 0.01 1 1716 237 200 ILE CG1 C 23.4651 0.01 1 1717 237 200 ILE CG2 C 15.864 0.01 1 1718 237 200 ILE CD1 C 13.432 0.01 1 1719 237 200 ILE N N 118.9486 0.01 1 1720 238 201 TYR H H 8.7437 0.01 1 1721 238 201 TYR HA H 4.8687 0.01 1 1722 238 201 TYR HB2 H 3.0097 0.01 2 1723 238 201 TYR HB3 H 2.7746 0.01 2 1724 238 201 TYR C C 174.2206 0.05 1 1725 238 201 TYR CA C 54.1893 0.01 1 1726 238 201 TYR CB C 37.3449 0.01 1 1727 238 201 TYR N N 124.0924 0.01 1 1728 239 202 ASP H H 8.1366 0.01 1 1729 239 202 ASP HA H 4.3087 0.01 1 1730 239 202 ASP C C 174.6277 0.05 1 1731 239 202 ASP CA C 51.9873 0.01 1 1732 239 202 ASP N N 123.9623 0.01 1 1733 240 203 SER H H 8.1949 0.01 1 1734 240 203 SER HA H 4.3859 0.01 1 1735 240 203 SER HB2 H 3.7952 0.01 2 1736 240 203 SER HB3 H 3.7952 0.01 2 1737 240 203 SER C C 171.5361 0.05 1 1738 240 203 SER CA C 55.6228 0.01 1 1739 240 203 SER CB C 61.1367 0.01 1 1740 240 203 SER N N 122.2141 0.01 1 1741 241 204 LYS H H 8.0147 0.01 1 1742 241 204 LYS HA H 4.1343 0.01 1 1743 241 204 LYS HB2 H 1.7459 0.05 2 1744 241 204 LYS HB3 H 1.7953 0.05 2 1745 241 204 LYS HG2 H 1.3322 0.05 2 1746 241 204 LYS HE2 H 2.9432 0.05 2 1747 241 204 LYS C C 173.3361 0.05 1 1748 241 204 LYS CA C 53.6174 0.01 1 1749 241 204 LYS CB C 30.1327 0.05 1 1750 241 204 LYS CG C 22.0523 0.05 1 1751 241 204 LYS CE C 39.3785 0.05 1 1752 241 204 LYS N N 121.2718 0.01 1 1753 242 205 ALA H H 8.1066 0.01 1 1754 242 205 ALA HA H 4.4859 0.01 1 1755 242 205 ALA HB H 1.3176 0.01 1 1756 242 205 ALA C C 173.1178 0.05 1 1757 242 205 ALA CA C 47.8359 0.01 1 1758 242 205 ALA CB C 15.5299 0.01 1 1759 242 205 ALA N N 125.9554 0.01 1 1760 243 206 PRO HA H 4.3643 0.01 1 1761 243 206 PRO HB2 H 2.2532 0.01 2 1762 243 206 PRO HB3 H 1.8785 0.01 2 1763 243 206 PRO HG2 H 1.9911 0.01 2 1764 243 206 PRO HD2 H 3.6456 0.01 2 1765 243 206 PRO HD3 H 3.7507 0.01 2 1766 243 206 PRO C C 174.1396 0.05 1 1767 243 206 PRO CA C 60.6068 0.01 1 1768 243 206 PRO CB C 29.3406 0.01 1 1769 243 206 PRO CG C 24.7381 0.01 1 1770 243 206 PRO CD C 47.7619 0.01 1 1771 244 207 ASN H H 8.3186 0.01 1 1772 244 207 ASN HA H 4.5758 0.01 1 1773 244 207 ASN HB2 H 2.7203 0.01 2 1774 244 207 ASN HB3 H 2.7627 0.01 2 1775 244 207 ASN C C 172.2277 0.05 1 1776 244 207 ASN CA C 50.1096 0.01 1 1777 244 207 ASN CB C 36.0278 0.01 1 1778 244 207 ASN N N 117.7625 0.01 1 1779 245 208 ALA H H 8.0894 0.01 1 1780 245 208 ALA HA H 4.3041 0.01 1 1781 245 208 ALA HB H 1.3603 0.01 1 1782 245 208 ALA C C 174.9463 0.05 1 1783 245 208 ALA CA C 49.7948 0.01 1 1784 245 208 ALA CB C 16.8219 0.01 1 1785 245 208 ALA N N 124.1747 0.01 1 1786 246 209 SER H H 8.206 0.01 1 1787 246 209 SER HA H 4.4249 0.01 1 1788 246 209 SER HB2 H 3.8314 0.01 2 1789 246 209 SER HB3 H 3.8314 0.01 2 1790 246 209 SER C C 170.7937 0.05 1 1791 246 209 SER CA C 55.5267 0.01 1 1792 246 209 SER CB C 61.1808 0.01 1 1793 246 209 SER N N 115.2452 0.01 1 1794 247 210 ASN H H 7.9176 0.01 1 1795 247 210 ASN HA H 4.4126 0.01 1 1796 247 210 ASN HB2 H 2.7062 0.01 2 1797 247 210 ASN HB3 H 2.611 0.01 2 1798 247 210 ASN CA C 52.1569 0.01 1 1799 247 210 ASN CB C 37.6016 0.01 1 1800 247 210 ASN N N 125.4263 0.01 1 stop_ save_ save_assigned_chemical_shifts_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_2 stop_ loop_ _Experiment_label '2D 1H-13C HSQC' '2D 1H-15N HSQC' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D H(CCO)NH' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' '3D HNCA' stop_ loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $sample_conditions_3 _Chem_shift_reference_set_label $chem_shift_reference_2 _Mol_system_component_name 'p50 Dimerization Domain' _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 1 246 3 SER HA H 4.6477 0.01 1 2 246 3 SER HB2 H 4.0206 0.01 2 3 246 3 SER CA C 55.7000 0.1 1 4 246 3 SER CB C 61.5698 0.1 1 5 247 4 ASN H H 8.4957 0.01 1 6 247 4 ASN HA H 4.8057 0.01 1 7 247 4 ASN HB2 H 2.9413 0.01 2 8 247 4 ASN CA C 50.9672 0.1 1 9 247 4 ASN CB C 36.3777 0.1 1 10 247 4 ASN N N 119.8331 0.1 1 11 248 5 LEU H H 8.2143 0.01 1 12 248 5 LEU HA H 4.5634 0.01 1 13 248 5 LEU HB2 H 1.5197 0.01 2 14 248 5 LEU HB3 H 1.1357 0.01 2 15 248 5 LEU HG H 1.5700 0.01 1 16 248 5 LEU HD1 H 0.7001 0.01 2 17 248 5 LEU HD2 H 0.8431 0.01 2 18 248 5 LEU CA C 51.5560 0.1 1 19 248 5 LEU CB C 41.4776 0.1 1 20 248 5 LEU CG C 24.3212 0.1 1 21 248 5 LEU CD1 C 23.9882 0.1 1 22 248 5 LEU CD2 C 22.0337 0.1 1 23 248 5 LEU N N 121.3858 0.1 1 24 249 6 LYS H H 8.6273 0.01 1 25 249 6 LYS HA H 4.5945 0.01 1 26 249 6 LYS HB2 H 1.8344 0.01 2 27 249 6 LYS HB3 H 1.7970 0.01 2 28 249 6 LYS HG2 H 1.2655 0.01 2 29 249 6 LYS HG3 H 1.4800 0.01 2 30 249 6 LYS HD2 H 1.9333 0.01 2 31 249 6 LYS HD3 H 1.8264 0.01 2 32 249 6 LYS HE2 H 3.1239 0.01 2 33 249 6 LYS CA C 54.2362 0.1 1 34 249 6 LYS CB C 34.5085 0.1 1 35 249 6 LYS CG C 22.2036 0.1 1 36 249 6 LYS CD C 31.0586 0.1 1 37 249 6 LYS N N 122.2460 0.1 1 38 250 7 ILE H H 9.0675 0.01 1 39 250 7 ILE HA H 3.9598 0.01 1 40 250 7 ILE HB H 1.9714 0.01 1 41 250 7 ILE HG12 H 1.0607 0.01 2 42 250 7 ILE HG13 H 1.3279 0.01 2 43 250 7 ILE HG2 H 0.8121 0.01 1 44 250 7 ILE HD1 H 0.8668 0.01 1 45 250 7 ILE CA C 59.9039 0.1 1 46 250 7 ILE CB C 35.4666 0.1 1 47 250 7 ILE CG1 C 25.1713 0.1 1 48 250 7 ILE CG2 C 14.3214 0.1 1 49 250 7 ILE CD1 C 11.0960 0.1 1 50 250 7 ILE N N 125.6404 0.1 1 51 251 8 VAL H H 9.1086 0.01 1 52 251 8 VAL HA H 3.9781 0.01 1 53 251 8 VAL HB H 1.6326 0.01 1 54 251 8 VAL HG1 H 1.0576 0.01 2 55 251 8 VAL HG2 H 1.0792 0.01 2 56 251 8 VAL CA C 62.7615 0.1 1 57 251 8 VAL CB C 29.9539 0.1 1 58 251 8 VAL CG1 C 19.8561 0.1 1 59 251 8 VAL CG2 C 18.1998 0.1 1 60 251 8 VAL N N 129.3445 0.1 1 61 252 9 ARG H H 7.7691 0.01 1 62 252 9 ARG HA H 4.7367 0.01 1 63 252 9 ARG HB2 H 1.8342 0.01 2 64 252 9 ARG HB3 H 2.4461 0.01 2 65 252 9 ARG HG2 H 1.8342 0.01 2 66 252 9 ARG HD2 H 3.1627 0.01 2 67 252 9 ARG CA C 53.2501 0.1 1 68 252 9 ARG CB C 32.2244 0.1 1 69 252 9 ARG CG C 23.8613 0.1 1 70 252 9 ARG CD C 41.5635 0.1 1 71 252 9 ARG N N 114.6155 0.01 1 72 253 10 MET H H 8.5901 0.01 1 73 253 10 MET HA H 5.5148 0.01 1 74 253 10 MET HB2 H 2.0407 0.01 2 75 253 10 MET HB3 H 2.2667 0.01 2 76 253 10 MET HG2 H 2.5696 0.01 1 77 253 10 MET CA C 52.5055 0.1 1 78 253 10 MET CB C 35.6142 0.1 1 79 253 10 MET CG C 28.7216 0.1 1 80 253 10 MET N N 119.8948 0.1 1 81 254 11 ASP H H 8.3845 0.01 1 82 254 11 ASP HA H 3.9218 0.01 1 83 254 11 ASP HB2 H 0.7563 0.01 2 84 254 11 ASP HB3 H 2.5694 0.01 2 85 254 11 ASP CA C 52.8175 0.1 1 86 254 11 ASP CB C 35.1021 0.1 1 87 254 11 ASP N N 119.6069 0.1 1 88 255 12 ARG H H 7.2795 0.01 1 89 255 12 ARG HA H 4.7762 0.01 1 90 255 12 ARG HB2 H 1.8511 0.01 2 91 255 12 ARG HB3 H 2.1022 0.01 2 92 255 12 ARG HG2 H 1.7885 0.01 2 93 255 12 ARG HD2 H 3.4035 0.01 2 94 255 12 ARG HD3 H 3.3029 0.01 2 95 255 12 ARG CA C 52.8841 0.1 1 96 255 12 ARG CB C 31.5585 0.1 1 97 255 12 ARG CG C 25.1298 0.1 1 98 255 12 ARG CD C 41.0587 0.1 1 99 255 12 ARG N N 119.4883 0.1 1 100 256 13 THR H H 8.4364 0.01 1 101 256 13 THR HA H 4.6460 0.01 1 102 256 13 THR HB H 4.7439 0.01 1 103 256 13 THR HG2 H 1.3093 0.01 1 104 256 13 THR CA C 57.6527 0.1 1 105 256 13 THR CB C 65.9773 0.1 1 106 256 13 THR CG2 C 19.4262 0.1 1 107 256 13 THR N N 109.2591 0.1 1 108 257 14 ALA H H 7.3245 0.01 1 109 257 14 ALA HA H 4.3246 0.01 1 110 257 14 ALA HB H 1.3292 0.01 1 111 257 14 ALA CA C 47.2092 0.1 1 112 257 14 ALA CB C 20.8366 0.1 1 113 257 14 ALA N N 123.8014 0.1 1 114 258 15 GLY H H 8.4575 0.01 1 115 258 15 GLY HA2 H 3.9464 0.01 1 116 258 15 GLY HA3 H 4.3951 0.01 1 117 258 15 GLY CA C 42.2315 0.1 1 118 258 15 GLY N N 107.9154 0.1 1 119 259 16 CYS H H 9.1254 0.01 1 120 259 16 CYS HA H 4.4076 0.01 1 121 259 16 CYS HB2 H 2.7952 0.01 2 122 259 16 CYS HB3 H 3.2764 0.01 2 123 259 16 CYS CA C 56.3576 0.1 1 124 259 16 CYS CB C 25.2221 0.1 1 125 259 16 CYS N N 120.2833 0.1 1 126 260 17 VAL H H 8.5153 0.01 1 127 260 17 VAL HA H 4.0224 0.01 1 128 260 17 VAL HB H 2.2166 0.01 1 129 260 17 VAL HG1 H 1.0540 0.01 2 130 260 17 VAL HG2 H 1.3393 0.01 2 131 260 17 VAL CA C 62.4226 0.1 1 132 260 17 VAL CB C 30.6785 0.1 1 133 260 17 VAL CG1 C 20.9986 0.1 1 134 260 17 VAL CG2 C 17.2645 0.1 1 135 260 17 VAL N N 123.0655 0.1 1 136 261 18 THR H H 7.4120 0.01 1 137 261 18 THR HA H 3.9558 0.01 1 138 261 18 THR HB H 4.4756 0.01 1 139 261 18 THR HG2 H 1.4090 0.01 1 140 261 18 THR CA C 61.4442 0.1 1 141 261 18 THR CB C 66.1162 0.1 1 142 261 18 THR CG2 C 20.4876 0.1 1 143 261 18 THR N N 109.5003 0.1 1 144 262 19 GLY H H 7.7922 0.01 1 145 262 19 GLY HA2 H 3.9829 0.01 1 146 262 19 GLY HA3 H 3.7915 0.01 1 147 262 19 GLY CA C 41.9136 0.1 1 148 262 19 GLY N N 106.2789 0.1 1 149 263 20 GLY H H 9.0964 0.01 1 150 263 20 GLY HA2 H 3.7404 0.01 1 151 263 20 GLY HA3 H 4.2389 0.01 1 152 263 20 GLY CA C 43.5700 0.1 1 153 263 20 GLY N N 106.9680 0.1 1 154 264 21 GLU H H 7.8861 0.01 1 155 264 21 GLU HA H 4.5508 0.01 1 156 264 21 GLU HB2 H 2.2067 0.01 2 157 264 21 GLU HB3 H 1.9883 0.01 2 158 264 21 GLU CA C 52.9746 0.1 1 159 264 21 GLU CB C 29.3288 0.1 1 160 264 21 GLU CG C 35.4081 0.1 1 161 264 21 GLU N N 119.4578 0.1 1 162 265 22 GLU H H 8.6441 0.01 1 163 265 22 GLU HA H 4.7870 0.01 1 164 265 22 GLU HB2 H 1.9588 0.01 2 165 265 22 GLU HB3 H 2.1093 0.01 2 166 265 22 GLU HG2 H 2.1318 0.01 1 167 265 22 GLU CA C 54.5285 0.1 1 168 265 22 GLU CB C 29.5562 0.1 1 169 265 22 GLU CG C 36.5717 0.1 1 170 265 22 GLU N N 123.1652 0.1 1 171 266 23 ILE H H 9.2187 0.01 1 172 266 23 ILE HA H 4.4530 0.01 1 173 266 23 ILE HB H 0.5771 0.01 1 174 266 23 ILE HG12 H 1.0405 0.01 2 175 266 23 ILE HG13 H 1.3284 0.01 2 176 266 23 ILE HG2 H 1.0405 0.01 1 177 266 23 ILE HD1 H 0.8668 0.01 1 178 266 23 ILE CA C 57.5754 0.1 1 179 266 23 ILE CB C 37.3241 0.1 1 180 266 23 ILE CG1 C 25.1613 0.1 1 181 266 23 ILE CG2 C 15.3948 0.1 1 182 266 23 ILE CD1 C 10.9598 0.1 1 183 266 23 ILE N N 127.8874 0.1 1 184 267 24 TYR H H 8.7743 0.01 1 185 267 24 TYR HA H 4.9502 0.01 1 186 267 24 TYR HB2 H 2.2656 0.01 2 187 267 24 TYR HB3 H 2.8883 0.01 2 188 267 24 TYR CA C 53.8998 0.1 1 189 267 24 TYR CB C 36.4030 0.1 1 190 267 24 TYR N N 125.7879 0.01 1 191 268 25 LEU H H 9.0706 0.01 1 192 268 25 LEU HA H 5.1625 0.01 1 193 268 25 LEU HB2 H 1.8790 0.01 2 194 268 25 LEU HB3 H 2.1185 0.01 2 195 268 25 LEU HG H 1.7978 0.01 1 196 268 25 LEU HD1 H 0.8953 0.01 2 197 268 25 LEU HD2 H 0.7933 0.01 2 198 268 25 LEU CA C 51.6816 0.1 1 199 268 25 LEU CB C 43.8821 0.1 1 200 268 25 LEU CG C 24.3343 0.1 1 201 268 25 LEU CD1 C 24.4282 0.1 1 202 268 25 LEU CD2 C 23.826 0.1 1 203 268 25 LEU N N 125.0795 0.1 1 204 269 26 LEU H H 9.4137 0.01 1 205 269 26 LEU HA H 5.1317 0.01 1 206 269 26 LEU HB2 H 1.5554 0.01 2 207 269 26 LEU HB3 H 0.2734 0.01 2 208 269 26 LEU HG H 1.8107 0.01 1 209 269 26 LEU HD1 H 0.8920 0.01 2 210 269 26 LEU HD2 H 0.5937 0.01 2 211 269 26 LEU CA C 51.5422 0.1 1 212 269 26 LEU CB C 37.1874 0.1 1 213 269 26 LEU CG C 25.1284 0.1 1 214 269 26 LEU CD1 C 20.2934 0.1 1 215 269 26 LEU CD2 C 22.5670 0.1 1 216 269 26 LEU N N 125.1062 0.1 1 217 270 27 CYS H H 8.927 0.01 1 218 270 27 CYS HA H 5.6914 0.01 1 219 270 27 CYS HB2 H 2.4648 0.01 2 220 270 27 CYS HB3 H 3.4814 0.01 2 221 270 27 CYS CA C 52.1099 0.1 1 222 270 27 CYS CB C 31.8173 0.1 1 223 270 27 CYS N N 122.333 0.1 1 224 271 28 ASP H H 7.4501 0.01 1 225 271 28 ASP HA H 5.4103 0.01 1 226 271 28 ASP HB2 H 3.2402 0.01 2 227 271 28 ASP HB3 H 2.6670 0.01 2 228 271 28 ASP CA C 52.3473 0.1 1 229 271 28 ASP CB C 39.4965 0.1 1 230 271 28 ASP N N 118.1975 0.1 1 231 272 29 LYS H H 8.2888 0.01 1 232 272 29 LYS HA H 3.7619 0.01 1 233 272 29 LYS HB2 H 1.6461 0.01 2 234 272 29 LYS HG2 H 1.0947 0.01 2 235 272 29 LYS HG3 H 0.9580 0.01 2 236 272 29 LYS CA C 56.0410 0.1 1 237 272 29 LYS CB C 30.1245 0.1 1 238 272 29 LYS N N 118.5287 0.1 1 239 273 30 VAL HA H 4.5828 0.01 1 240 273 30 VAL HB H 1.9456 0.01 1 241 273 30 VAL HG1 H 0.4773 0.01 2 242 273 30 VAL HG2 H 1.0561 0.01 2 243 273 30 VAL CA C 56.3310 0.1 1 244 273 30 VAL CB C 33.3702 0.1 1 245 273 30 VAL CG1 C 14.8061 0.1 1 246 273 30 VAL CG2 C 19.8210 0.1 1 247 274 31 GLN H H 8.5877 0.01 1 248 274 31 GLN HA H 4.6738 0.01 1 249 274 31 GLN HB2 H 2.4900 0.01 2 250 274 31 GLN CA C 51.7466 0.1 1 251 274 31 GLN CB C 31.3356 0.1 1 252 274 31 GLN N N 119.9359 0.1 1 253 275 32 LYS H H 8.8267 0.01 1 254 275 32 LYS HA H 4.0903 0.01 1 255 275 32 LYS HB2 H 2.2835 0.01 2 256 275 32 LYS HB3 H 1.9209 0.01 2 257 275 32 LYS HG2 H 1.7728 0.01 1 258 275 32 LYS CA C 57.4293 0.1 1 259 275 32 LYS CB C 29.7209 0.1 1 260 275 32 LYS CG C 21.1475 0.1 1 261 275 32 LYS CD C 27.1661 0.1 1 262 275 32 LYS CE C 40.0624 0.1 1 263 275 32 LYS N N 123.4251 0.01 1 264 276 33 ASP H H 8.3013 0.01 1 265 276 33 ASP HA H 4.9124 0.01 1 266 276 33 ASP HB2 H 2.8938 0.01 2 267 276 33 ASP HB3 H 2.7954 0.01 2 268 276 33 ASP CA C 51.3651 0.1 1 269 276 33 ASP CB C 38.3553 0.1 1 270 276 33 ASP N N 116.2741 0.1 1 271 277 34 ASP H H 8.1498 0.01 1 272 277 34 ASP HA H 5.2721 0.01 1 273 277 34 ASP HB2 H 2.3602 0.01 2 274 277 34 ASP HB3 H 2.7577 0.01 2 275 277 34 ASP CA C 50.2771 0.1 1 276 277 34 ASP CB C 39.5377 0.1 1 277 277 34 ASP N N 120.5117 0.1 1 278 278 35 ILE H H 7.8845 0.01 1 279 278 35 ILE HA H 5.2863 0.01 1 280 278 35 ILE HB H 1.9820 0.01 1 281 278 35 ILE HG12 H 1.2168 0.01 2 282 278 35 ILE HG13 H 1.3394 0.01 2 283 278 35 ILE HG2 H 0.9483 0.01 1 284 278 35 ILE HD1 H 1.0977 0.01 1 285 278 35 ILE CA C 54.5127 0.1 1 286 278 35 ILE CB C 40.0536 0.1 1 287 278 35 ILE CG1 C 26.1268 0.1 1 288 278 35 ILE CG2 C 16.5720 0.1 1 289 278 35 ILE CD1 C 12.1481 0.1 1 290 278 35 ILE N N 117.5134 0.1 1 291 279 36 GLN H H 9.0221 0.01 1 292 279 36 GLN HA H 4.9310 0.01 1 293 279 36 GLN HB2 H 2.1692 0.01 2 294 279 36 GLN HB3 H 2.3497 0.01 2 295 279 36 GLN CA C 51.7670 0.1 1 296 279 36 GLN CB C 32.1113 0.1 1 297 279 36 GLN N N 124.3864 0.1 1 298 280 37 ILE H H 9.4579 0.01 1 299 280 37 ILE HA H 4.4054 0.01 1 300 280 37 ILE HB H 1.2084 0.01 1 301 280 37 ILE HG12 H 0.4554 0.01 2 302 280 37 ILE HG13 H 1.0604 0.01 2 303 280 37 ILE HG2 H 0.0915 0.01 1 304 280 37 ILE HD1 H -0.0947 0.01 1 305 280 37 ILE CA C 58.2155 0.1 1 306 280 37 ILE CB C 37.0858 0.1 1 307 280 37 ILE CG1 C 24.1602 0.1 1 308 280 37 ILE CG2 C 15.2563 0.1 1 309 280 37 ILE CD1 C 12.2100 0.1 1 310 280 37 ILE N N 122.4231 0.1 1 311 281 38 ARG H H 9.0280 0.01 1 312 281 38 ARG HA H 4.6196 0.01 1 313 281 38 ARG HB2 H 1.2233 0.01 2 314 281 38 ARG HB3 H 1.9358 0.01 2 315 281 38 ARG HG2 H 1.4961 0.01 2 316 281 38 ARG HD2 H 3.1059 0.01 2 317 281 38 ARG CA C 52.6110 0.1 1 318 281 38 ARG CB C 31.2586 0.1 1 319 281 38 ARG CG C 26.1694 0.1 1 320 281 38 ARG CD C 40.8381 0.1 1 321 281 38 ARG N N 129.4597 0.1 1 322 282 39 PHE H H 9.3396 0.01 1 323 282 39 PHE HA H 5.7795 0.01 1 324 282 39 PHE HB2 H 2.8972 0.01 2 325 282 39 PHE HB3 H 2.9553 0.01 2 326 282 39 PHE CA C 53.0420 0.1 1 327 282 39 PHE CB C 38.7940 0.1 1 328 282 39 PHE N N 129.5420 0.1 1 329 283 40 TYR H H 9.7110 0.01 1 330 283 40 TYR HA H 5.8303 0.01 1 331 283 40 TYR HB2 H 3.0224 0.01 2 332 283 40 TYR HB3 H 2.8833 0.01 2 333 283 40 TYR CA C 54.3434 0.1 1 334 283 40 TYR CB C 38.3815 0.1 1 335 283 40 TYR N N 117.0050 0.1 1 336 284 41 GLU H H 9.0627 0.01 1 337 284 41 GLU HA H 5.0103 0.01 1 338 284 41 GLU HB2 H 2.4439 0.01 2 339 284 41 GLU HB3 H 2.6845 0.01 2 340 284 41 GLU CA C 52.5583 0.1 1 341 284 41 GLU CB C 32.9561 0.1 1 342 284 41 GLU N N 119.2305 0.1 1 343 285 42 GLU H H 9.3887 0.01 1 344 285 42 GLU HA H 4.8716 0.01 1 345 285 42 GLU HB2 H 2.3101 0.01 2 346 285 42 GLU HB3 H 2.3184 0.01 2 347 285 42 GLU HG2 H 2.4994 0.01 2 348 285 42 GLU HG3 H 2.5732 0.01 2 349 285 42 GLU CA C 54.1054 0.1 1 350 285 42 GLU CB C 27.9194 0.1 1 351 285 42 GLU CG C 34.4720 0.1 1 352 285 42 GLU N N 126.5041 0.1 1 353 286 43 GLU H H 8.6702 0.01 1 354 286 43 GLU HA H 4.6842 0.01 1 355 286 43 GLU HB2 H 2.0650 0.01 2 356 286 43 GLU HB3 H 2.2451 0.01 2 357 286 43 GLU HG2 H 2.4253 0.01 2 358 286 43 GLU HG3 H 2.4630 0.01 2 359 286 43 GLU CA C 53.2328 0.1 1 360 286 43 GLU CB C 29.0333 0.1 1 361 286 43 GLU CG C 34.0506 0.1 1 362 286 43 GLU N N 124.0002 0.1 1 363 287 44 GLU H H 8.9516 0.01 1 364 287 44 GLU HA H 4.2402 0.01 1 365 287 44 GLU HB2 H 2.1566 0.01 2 366 287 44 GLU HB3 H 2.1845 0.01 2 367 287 44 GLU HG2 H 2.4298 0.01 2 368 287 44 GLU HG3 H 2.4584 0.01 2 369 287 44 GLU CA C 56.1293 0.1 1 370 287 44 GLU CB C 27.1720 0.1 1 371 287 44 GLU CG C 33.6179 0.1 1 372 287 44 GLU N N 122.3801 0.1 1 373 288 45 ASN H H 8.4468 0.01 1 374 288 45 ASN HA H 4.7653 0.01 1 375 288 45 ASN HB2 H 3.0673 0.01 2 376 288 45 ASN HB3 H 3.0942 0.01 2 377 288 45 ASN CA C 50.9441 0.1 1 378 288 45 ASN CB C 35.4940 0.1 1 379 288 45 ASN N N 115.8034 0.1 1 380 289 46 GLY H H 8.1513 0.01 1 381 289 46 GLY HA2 H 3.9548 0.01 1 382 289 46 GLY HA3 H 4.3843 0.01 1 383 289 46 GLY CA C 42.8996 0.1 1 384 289 46 GLY N N 107.5020 0.1 1 385 290 47 GLY H H 8.0773 0.01 1 386 290 47 GLY HA2 H 4.0332 0.01 1 387 290 47 GLY HA3 H 4.3215 0.01 1 388 290 47 GLY CA C 42.5295 0.1 1 389 290 47 GLY N N 109.1558 0.1 1 390 291 48 VAL H H 8.2722 0.01 1 391 291 48 VAL HA H 5.0858 0.01 1 392 291 48 VAL HB H 2.1424 0.01 1 393 291 48 VAL HG1 H 1.0003 0.01 2 394 291 48 VAL HG2 H 1.0561 0.01 2 395 291 48 VAL CA C 58.6598 0.1 1 396 291 48 VAL CB C 32.9043 0.1 1 397 291 48 VAL CG1 C 18.5240 0.1 1 398 291 48 VAL CG2 C 18.7630 0.1 1 399 291 48 VAL N N 119.1109 0.1 1 400 292 49 TRP H H 8.9804 0.01 1 401 292 49 TRP HA H 4.7563 0.01 1 402 292 49 TRP HB2 H 3.3371 0.01 2 403 292 49 TRP HB3 H 3.3757 0.01 2 404 292 49 TRP CA C 55.5843 0.1 1 405 292 49 TRP CB C 27.4386 0.1 1 406 292 49 TRP N N 128.2715 0.1 1 407 293 50 GLU H H 6.9641 0.01 1 408 293 50 GLU HA H 4.7963 0.01 1 409 293 50 GLU HB2 H 1.6768 0.01 2 410 293 50 GLU HB3 H 1.4810 0.01 2 411 293 50 GLU HG2 H 2.0094 0.01 2 412 293 50 GLU HG3 H 1.9051 0.01 2 413 293 50 GLU CA C 50.8255 0.1 1 414 293 50 GLU CB C 30.9374 0.1 1 415 293 50 GLU CG C 32.5961 0.1 1 416 293 50 GLU N N 122.9095 0.1 1 417 294 51 GLY H H 8.3044 0.01 1 418 294 51 GLY HA2 H 3.1112 0.01 1 419 294 51 GLY HA3 H 4.1816 0.01 1 420 294 51 GLY CA C 41.1211 0.1 1 421 294 51 GLY N N 108.0877 0.1 1 422 295 52 PHE H H 8.7961 0.01 1 423 295 52 PHE HA H 5.8331 0.01 1 424 295 52 PHE HB2 H 3.5039 0.01 2 425 295 52 PHE HB3 H 2.7952 0.01 2 426 295 52 PHE CA C 54.2752 0.1 1 427 295 52 PHE CB C 38.9187 0.1 1 428 295 52 PHE N N 118.0332 0.1 1 429 296 53 GLY H H 9.4766 0.01 1 430 296 53 GLY HA2 H 3.4221 0.01 1 431 296 53 GLY HA3 H 4.5669 0.01 1 432 296 53 GLY CA C 43.6064 0.1 1 433 296 53 GLY N N 107.0196 0.1 1 434 297 54 ASP H H 9.3825 0.01 1 435 297 54 ASP HA H 5.1688 0.01 1 436 297 54 ASP HB2 H 2.8490 0.01 2 437 297 54 ASP HB3 H 2.9297 0.01 2 438 297 54 ASP CA C 51.8725 0.1 1 439 297 54 ASP CB C 40.9082 0.1 1 440 297 54 ASP N N 125.6137 0.1 1 441 298 55 PHE H H 7.9845 0.01 1 442 298 55 PHE HA H 5.1413 0.01 1 443 298 55 PHE HB2 H 3.5510 0.01 2 444 298 55 PHE HB3 H 3.6845 0.01 2 445 298 55 PHE CA C 54.3142 0.1 1 446 298 55 PHE CB C 37.6812 0.1 1 447 298 55 PHE N N 121.6736 0.1 1 448 299 56 SER H H 9.8275 0.01 1 449 299 56 SER HA H 5.1732 0.01 1 450 299 56 SER HB2 H 4.0339 0.01 2 451 299 56 SER HB3 H 4.1106 0.01 2 452 299 56 SER CA C 53.5494 0.1 1 453 299 56 SER CB C 61.7066 0.1 1 454 299 56 SER N N 119.6172 0.1 1 455 300 57 PRO HA H 4.5228 0.01 1 456 300 57 PRO HB2 H 2.1456 0.01 2 457 300 57 PRO HB3 H 2.3415 0.01 2 458 300 57 PRO HG2 H 2.1741 0.01 2 459 300 57 PRO HG3 H 2.3252 0.01 2 460 300 57 PRO HD2 H 4.0326 0.01 2 461 300 57 PRO CA C 63.8267 0.1 1 462 300 57 PRO CB C 29.2993 0.1 1 463 300 57 PRO CG C 25.4207 0.1 1 464 300 57 PRO CD C 48.0088 0.1 1 465 301 58 THR H H 7.4279 0.01 1 466 301 58 THR HA H 4.2920 0.01 1 467 301 58 THR HB H 4.4752 0.01 1 468 301 58 THR HG2 H 1.3817 0.01 1 469 301 58 THR CA C 60.8517 0.1 1 470 301 58 THR CB C 65.9952 0.1 1 471 301 58 THR CG2 C 19.8172 0.1 1 472 301 58 THR N N 104.6768 0.1 1 473 302 59 ASP H H 8.5122 0.01 1 474 302 59 ASP HA H 4.7569 0.01 1 475 302 59 ASP HB2 H 3.4857 0.01 2 476 302 59 ASP HB3 H 4.0636 0.01 2 477 302 59 ASP CA C 53.5320 0.1 1 478 302 59 ASP CB C 40.1155 0.1 1 479 302 59 ASP N N 121.6545 0.1 1 480 303 60 VAL H H 7.3833 0.01 1 481 303 60 VAL HA H 4.6119 0.01 1 482 303 60 VAL HB H 2.4544 0.01 1 483 303 60 VAL HG1 H 0.7286 0.01 2 484 303 60 VAL HG2 H 1.1095 0.01 2 485 303 60 VAL CA C 59.3707 0.1 1 486 303 60 VAL CB C 27.8546 0.1 1 487 303 60 VAL CG1 C 18.1994 0.1 1 488 303 60 VAL CG2 C 18.8824 0.1 1 489 303 60 VAL N N 121.3017 0.1 1 490 304 61 HIS H H 9.0573 0.01 1 491 304 61 HIS HA H 4.8219 0.01 1 492 304 61 HIS HB2 H 3.1482 0.01 2 493 304 61 HIS HB3 H 2.8731 0.01 2 494 304 61 HIS CA C 52.7868 0.1 1 495 304 61 HIS CB C 30.2662 0.1 1 496 304 61 HIS N N 131.0556 0.1 1 497 305 62 ARG H H 8.8723 0.01 1 498 305 62 ARG HA H 3.5830 0.01 1 499 305 62 ARG HB2 H 0.8617 0.01 2 500 305 62 ARG HB3 H 0.7217 0.01 2 501 305 62 ARG HG2 H 0.5910 0.01 2 502 305 62 ARG HG3 H 0.8788 0.01 2 503 305 62 ARG HD2 H 2.6329 0.01 2 504 305 62 ARG HD3 H 2.9586 0.01 2 505 305 62 ARG CA C 52.4791 0.1 1 506 305 62 ARG CB C 24.0714 0.1 1 507 305 62 ARG CG C 23.2013 0.1 1 508 305 62 ARG CD C 39.3129 0.1 1 509 305 62 ARG N N 123.0298 0.1 1 510 306 63 GLN H H 7.3328 0.01 1 511 306 63 GLN HA H 3.4383 0.01 1 512 306 63 GLN HG2 H 1.9486 0.01 2 513 306 63 GLN HG3 H 2.3597 0.01 2 514 306 63 GLN CA C 56.3576 0.1 1 515 306 63 GLN CG C 33.6627 0.1 1 516 306 63 GLN N N 105.1075 0.1 1 517 307 64 PHE H H 7.8094 0.01 1 518 307 64 PHE HA H 5.3979 0.01 1 519 307 64 PHE HB2 H 2.4927 0.01 2 520 307 64 PHE HB3 H 4.0022 0.01 2 521 307 64 PHE CA C 56.8326 0.1 1 522 307 64 PHE CB C 40.4869 0.1 1 523 307 64 PHE N N 114.7448 0.1 1 524 308 65 ALA H H 7.8135 0.01 1 525 308 65 ALA HA H 5.6477 0.01 1 526 308 65 ALA HB H 1.6902 0.01 1 527 308 65 ALA CA C 49.1103 0.1 1 528 308 65 ALA CB C 21.0793 0.1 1 529 308 65 ALA N N 120.5055 0.1 1 530 309 66 ILE H H 9.6133 0.01 1 531 309 66 ILE HA H 4.6038 0.01 1 532 309 66 ILE HB H 1.3581 0.01 1 533 309 66 ILE HG12 H 1.5805 0.01 2 534 309 66 ILE HG13 H 0.7783 0.01 2 535 309 66 ILE HG2 H 0.0519 0.01 1 536 309 66 ILE HD1 H 0.4409 0.01 1 537 309 66 ILE CA C 59.2226 0.1 1 538 309 66 ILE CB C 40.2393 0.1 1 539 309 66 ILE CG1 C 24.4034 0.1 1 540 309 66 ILE CG2 C 14.9446 0.1 1 541 309 66 ILE CD1 C 11.6530 0.1 1 542 309 66 ILE N N 120.1114 0.1 1 543 310 67 VAL H H 7.3987 0.01 1 544 310 67 VAL HA H 4.9076 0.01 1 545 310 67 VAL HB H 1.7746 0.01 1 546 310 67 VAL HG1 H 0.0080 0.01 2 547 310 67 VAL HG2 H 0.6187 0.01 2 548 310 67 VAL CA C 58.7190 0.1 1 549 310 67 VAL CB C 29.8762 0.1 1 550 310 67 VAL CG1 C 16.9529 0.1 1 551 310 67 VAL CG2 C 19.0304 0.1 1 552 310 67 VAL N N 128.5210 0.1 1 553 311 68 PHE H H 8.8683 0.01 1 554 311 68 PHE HA H 5.7095 0.01 1 555 311 68 PHE HB2 H 2.6391 0.01 2 556 311 68 PHE HB3 H 3.0200 0.01 2 557 311 68 PHE CA C 52.1890 0.1 1 558 311 68 PHE CB C 41.4259 0.1 1 559 311 68 PHE N N 122.0421 0.1 1 560 312 69 LYS H H 9.1371 0.01 1 561 312 69 LYS HA H 5.4558 0.01 1 562 312 69 LYS HB2 H 2.0069 0.01 2 563 312 69 LYS HB3 H 1.5643 0.01 2 564 312 69 LYS HG2 H 1.7555 0.01 2 565 312 69 LYS HG3 H 1.2386 0.01 2 566 312 69 LYS HD2 H 1.7079 0.01 2 567 312 69 LYS HE2 H 3.1017 0.01 2 568 312 69 LYS CA C 51.1754 0.1 1 569 312 69 LYS CB C 33.4737 0.1 1 570 312 69 LYS CG C 23.7783 0.1 1 571 312 69 LYS CD C 27.0691 0.1 1 572 312 69 LYS CE C 40.0624 0.1 1 573 312 69 LYS N N 116.8068 0.1 1 574 313 70 THR H H 9.1045 0.01 1 575 313 70 THR HA H 4.0241 0.01 1 576 313 70 THR HB H 4.2170 0.01 1 577 313 70 THR HG2 H 1.3655 0.01 1 578 313 70 THR CA C 57.0761 0.1 1 579 313 70 THR CB C 65.7251 0.1 1 580 313 70 THR CG2 C 22.8245 0.1 1 581 313 70 THR N N 113.5745 0.1 1 582 314 71 PRO HA H 4.9967 0.01 1 583 314 71 PRO HB2 H 2.0111 0.01 2 584 314 71 PRO HB3 H 2.4342 0.01 2 585 314 71 PRO HG2 H 1.7982 0.01 2 586 314 71 PRO CA C 59.5484 0.1 1 587 314 71 PRO CB C 28.1533 0.1 1 588 314 71 PRO CG C 22.9966 0.1 1 589 315 72 LYS H H 8.4612 0.01 1 590 315 72 LYS HA H 4.0003 0.01 1 591 315 72 LYS HB2 H 1.7293 0.01 2 592 315 72 LYS HB3 H 1.7767 0.01 2 593 315 72 LYS HG2 H 1.4981 0.01 2 594 315 72 LYS HD2 H 1.7914 0.01 2 595 315 72 LYS HE2 H 3.1126 0.01 2 596 315 72 LYS CA C 54.0998 0.1 1 597 315 72 LYS CB C 30.5886 0.1 1 598 315 72 LYS CG C 21.1475 0.1 1 599 315 72 LYS CD C 27.2631 0.1 1 600 315 72 LYS CE C 39.4806 0.1 1 601 315 72 LYS N N 122.3220 0.1 1 602 316 73 TYR H H 8.1046 0.01 1 603 316 73 TYR HA H 3.9602 0.01 1 604 316 73 TYR HB2 H 1.7744 0.01 2 605 316 73 TYR HB3 H 1.2932 0.01 2 606 316 73 TYR CA C 54.0297 0.1 1 607 316 73 TYR CB C 35.3947 0.1 1 608 316 73 TYR N N 123.9036 0.1 1 609 317 74 LYS H H 3.3634 0.01 1 610 317 74 LYS HA H 3.5498 0.01 1 611 317 74 LYS HB2 H 1.0131 0.01 2 612 317 74 LYS HB3 H -0.0710 0.01 2 613 317 74 LYS HG2 H 0.4841 0.01 2 614 317 74 LYS HG3 H -0.3241 0.01 2 615 317 74 LYS HD2 H 1.3815 0.01 2 616 317 74 LYS HD3 H 1.0371 0.01 2 617 317 74 LYS HE2 H 2.7741 0.01 2 618 317 74 LYS CA C 54.5249 0.1 1 619 317 74 LYS CB C 29.6433 0.1 1 620 317 74 LYS CG C 20.1248 0.1 1 621 317 74 LYS CD C 26.8556 0.1 1 622 317 74 LYS CE C 39.2020 0.1 1 623 317 74 LYS N N 121.9925 0.1 1 624 318 75 ASP H H 5.6145 0.01 1 625 318 75 ASP HA H 4.7726 0.01 1 626 318 75 ASP HB2 H 2.6043 0.01 2 627 318 75 ASP HB3 H 2.2480 0.01 2 628 318 75 ASP CA C 49.8339 0.1 1 629 318 75 ASP CB C 40.0536 0.1 1 630 318 75 ASP N N 117.7381 0.1 1 631 319 76 VAL H H 8.1017 0.01 1 632 319 76 VAL HA H 4.2231 0.01 1 633 319 76 VAL HB H 2.4375 0.01 1 634 319 76 VAL HG1 H 0.8888 0.01 2 635 319 76 VAL HG2 H 0.8957 0.01 2 636 319 76 VAL CA C 59.2226 0.1 1 637 319 76 VAL CB C 28.1945 0.1 1 638 319 76 VAL CG1 C 18.7288 0.1 1 639 319 76 VAL CG2 C 15.5679 0.1 1 640 319 76 VAL N N 115.2831 0.1 1 641 320 77 ASN H H 8.7352 0.01 1 642 320 77 ASN HA H 5.0334 0.01 1 643 320 77 ASN HB2 H 2.8514 0.01 2 644 320 77 ASN HB3 H 3.0321 0.01 2 645 320 77 ASN CA C 50.4353 0.1 1 646 320 77 ASN CB C 36.4007 0.1 1 647 320 77 ASN N N 119.9256 0.1 1 648 321 78 ILE H H 6.6926 0.01 1 649 321 78 ILE HA H 4.3851 0.01 1 650 321 78 ILE HB H 2.3393 0.01 1 651 321 78 ILE HG12 H 1.3219 0.01 2 652 321 78 ILE HG13 H 1.2409 0.01 2 653 321 78 ILE HG2 H 1.2690 0.01 1 654 321 78 ILE HD1 H 0.8496 0.01 1 655 321 78 ILE CA C 59.9927 0.1 1 656 321 78 ILE CB C 36.5256 0.1 1 657 321 78 ILE CG2 C 16.0527 0.1 1 658 321 78 ILE CD1 C 11.6530 0.1 1 659 321 78 ILE N N 112.4701 0.1 1 660 322 79 THR H H 8.5684 0.01 1 661 322 79 THR HA H 4.5390 0.01 1 662 322 79 THR HB H 4.5366 0.01 1 663 322 79 THR HG2 H 1.3110 0.01 1 664 322 79 THR CA C 58.8671 0.1 1 665 322 79 THR CB C 67.1534 0.1 1 666 322 79 THR CG2 C 19.2363 0.1 1 667 322 79 THR N N 109.2074 0.1 1 668 323 80 LYS H H 7.7066 0.01 1 669 323 80 LYS HA H 4.8865 0.01 1 670 323 80 LYS HB2 H 1.9415 0.01 2 671 323 80 LYS HB3 H 1.8126 0.01 2 672 323 80 LYS HG2 H 1.5072 0.01 2 673 323 80 LYS HD2 H 1.9537 0.01 2 674 323 80 LYS HE2 H 3.1095 0.01 2 675 323 80 LYS CA C 50.7591 0.1 1 676 323 80 LYS CB C 31.0089 0.1 1 677 323 80 LYS CG C 21.1044 0.1 1 678 323 80 LYS N N 121.9127 0.1 1 679 324 81 PRO HA H 4.7132 0.01 1 680 324 81 PRO HB2 H 1.7746 0.01 2 681 324 81 PRO HB3 H 2.0392 0.01 2 682 324 81 PRO HG2 H 1.8451 0.01 2 683 324 81 PRO HG3 H 2.2053 0.01 2 684 324 81 PRO CA C 61.1183 0.1 1 685 324 81 PRO CB C 29.9797 0.1 1 686 324 81 PRO CG C 25.2268 0.1 1 687 324 81 PRO CD C 47.8196 0.1 1 688 325 82 ALA H H 8.8804 0.01 1 689 325 82 ALA HA H 4.6986 0.01 1 690 325 82 ALA HB H 1.0670 0.01 1 691 325 82 ALA CA C 48.1570 0.1 1 692 325 82 ALA CB C 18.7556 0.1 1 693 325 82 ALA N N 126.3438 0.1 1 694 326 83 SER H H 8.4552 0.01 1 695 326 83 SER HA H 4.9063 0.01 1 696 326 83 SER HB2 H 3.6925 0.01 2 697 326 83 SER HB3 H 3.9234 0.01 2 698 326 83 SER CA C 55.5600 0.1 1 699 326 83 SER CB C 61.2072 0.1 1 700 326 83 SER N N 118.7145 0.1 1 701 327 84 VAL H H 9.1295 0.01 1 702 327 84 VAL HA H 4.8958 0.01 1 703 327 84 VAL HB H 2.9490 0.01 1 704 327 84 VAL HG1 H 1.2355 0.01 2 705 327 84 VAL HG2 H 1.3002 0.01 2 706 327 84 VAL CA C 56.0654 0.1 1 707 327 84 VAL CB C 31.4291 0.1 1 708 327 84 VAL CG1 C 19.8040 0.1 1 709 327 84 VAL CG2 C 17.5762 0.1 1 710 327 84 VAL N N 120.9708 0.1 1 711 328 85 PHE H H 8.8668 0.01 1 712 328 85 PHE HA H 5.4176 0.01 1 713 328 85 PHE HB2 H 1.6087 0.01 2 714 328 85 PHE HB3 H 2.6316 0.01 2 715 328 85 PHE CA C 53.9227 0.1 1 716 328 85 PHE CB C 41.0235 0.1 1 717 328 85 PHE N N 118.7393 0.1 1 718 329 86 VAL H H 9.2577 0.01 1 719 329 86 VAL HA H 5.0109 0.01 1 720 329 86 VAL HB H 1.1583 0.01 1 721 329 86 VAL HG1 H -0.2336 0.01 2 722 329 86 VAL HG2 H 0.4342 0.01 2 723 329 86 VAL CA C 56.4672 0.1 1 724 329 86 VAL CB C 31.9726 0.1 1 725 329 86 VAL CG1 C 19.0304 0.1 1 726 329 86 VAL CG2 C 17.1953 0.1 1 727 329 86 VAL N N 117.9588 0.1 1 728 330 87 GLN H H 9.0768 0.01 1 729 330 87 GLN HA H 4.7458 0.01 1 730 330 87 GLN HB2 H 2.0292 0.01 2 731 330 87 GLN HB3 H 2.2884 0.01 2 732 330 87 GLN HG2 H 2.8410 0.01 2 733 330 87 GLN HG3 H 2.4399 0.01 2 734 330 87 GLN CA C 51.2066 0.1 1 735 330 87 GLN CG C 31.4325 0.1 1 736 330 87 GLN N N 120.7989 0.1 1 737 331 88 LEU H H 8.1789 0.01 1 738 331 88 LEU HA H 5.0470 0.01 1 739 331 88 LEU HB2 H 1.5074 0.01 2 740 331 88 LEU HG H 1.6328 0.01 1 741 331 88 LEU HD1 H 0.7001 0.01 2 742 331 88 LEU HD2 H 0.7871 0.01 2 743 331 88 LEU CA C 50.9667 0.1 1 744 331 88 LEU CB C 41.9047 0.1 1 745 331 88 LEU CG C 24.2480 0.1 1 746 331 88 LEU CD1 C 20.4137 0.1 1 747 331 88 LEU CD2 C 24.0153 0.1 1 748 331 88 LEU N N 120.6917 0.1 1 749 332 89 ARG H H 8.7062 0.01 1 750 332 89 ARG HA H 5.3382 0.01 1 751 332 89 ARG HB2 H 1.8778 0.01 2 752 332 89 ARG HB3 H 1.3455 0.01 2 753 332 89 ARG HG2 H 1.4492 0.01 2 754 332 89 ARG HG3 H 1.5898 0.01 2 755 332 89 ARG HD2 H 2.8243 0.01 2 756 332 89 ARG HD3 H 3.0929 0.01 2 757 332 89 ARG CA C 52.3736 0.1 1 758 332 89 ARG CB C 33.4737 0.1 1 759 332 89 ARG CG C 22.9259 0.1 1 760 332 89 ARG CD C 42.5369 0.1 1 761 332 89 ARG N N 120.6043 0.1 1 762 333 90 ARG H H 8.8080 0.01 1 763 333 90 ARG HA H 4.8149 0.01 1 764 333 90 ARG HB2 H 2.1714 0.01 2 765 333 90 ARG HB3 H 1.9488 0.01 2 766 333 90 ARG HG2 H 1.8309 0.01 2 767 333 90 ARG HD2 H 3.0951 0.01 2 768 333 90 ARG CA C 53.5494 0.1 1 769 333 90 ARG CB C 29.8762 0.1 1 770 333 90 ARG CG C 26.2496 0.1 1 771 333 90 ARG CD C 41.7108 0.1 1 772 333 90 ARG N N 127.6149 0.1 1 773 334 91 LYS H H 7.3630 0.01 1 774 334 91 LYS HA H 3.8846 0.01 1 775 334 91 LYS HB2 H 1.9486 0.01 2 776 334 91 LYS HG2 H 1.7503 0.01 2 777 334 91 LYS HD2 H 1.7349 0.01 2 778 334 91 LYS HE2 H 2.9574 0.01 2 779 334 91 LYS CA C 56.9300 0.1 1 780 334 91 LYS CB C 30.0750 0.1 1 781 334 91 LYS CG C 23.6986 0.1 1 782 334 91 LYS CD C 27.0691 0.1 1 783 334 91 LYS CE C 39.4806 0.1 1 784 334 91 LYS N N 124.9349 0.1 1 785 335 92 SER H H 9.9356 0.01 1 786 335 92 SER HA H 3.9922 0.01 1 787 335 92 SER HB2 H 3.7780 0.01 2 788 335 92 SER CA C 57.9489 0.1 1 789 335 92 SER CB C 58.8364 0.1 1 790 335 92 SER N N 115.0353 0.1 1 791 336 93 ASP H H 7.3002 0.01 1 792 336 93 ASP HA H 4.7726 0.01 1 793 336 93 ASP HB2 H 2.5753 0.01 2 794 336 93 ASP HB3 H 3.1788 0.01 2 795 336 93 ASP CA C 49.6026 0.1 1 796 336 93 ASP CB C 39.0012 0.1 1 797 336 93 ASP N N 116.9949 0.1 1 798 337 94 LEU H H 7.6447 0.01 1 799 337 94 LEU HA H 4.1933 0.01 1 800 337 94 LEU HB2 H 1.6559 0.01 2 801 337 94 LEU HB3 H 2.1022 0.01 2 802 337 94 LEU HG H 1.5138 0.01 1 803 337 94 LEU HD1 H 0.8373 0.01 2 804 337 94 LEU HD2 H 0.9265 0.01 2 805 337 94 LEU CA C 53.7399 0.1 1 806 337 94 LEU CB C 36.1053 0.1 1 807 337 94 LEU CG C 24.7420 0.1 1 808 337 94 LEU CD1 C 19.9746 0.1 1 809 337 94 LEU CD2 C 22.6837 0.1 1 810 337 94 LEU N N 114.9285 0.1 1 811 338 95 GLU H H 7.7966 0.01 1 812 338 95 GLU HA H 4.2891 0.01 1 813 338 95 GLU HB2 H 1.9411 0.01 2 814 338 95 GLU HB3 H 2.0433 0.01 2 815 338 95 GLU HG2 H 2.2494 0.01 2 816 338 95 GLU HG3 H 2.4211 0.01 2 817 338 95 GLU CA C 55.0485 0.1 1 818 338 95 GLU CB C 27.6347 0.1 1 819 338 95 GLU CG C 34.2445 0.1 1 820 338 95 GLU N N 120.5014 0.1 1 821 339 96 THR H H 8.1829 0.01 1 822 339 96 THR HA H 5.5374 0.01 1 823 339 96 THR HB H 4.4554 0.01 1 824 339 96 THR HG2 H 1.1228 0.01 1 825 339 96 THR CA C 56.6134 0.1 1 826 339 96 THR CB C 70.4124 0.1 1 827 339 96 THR CG2 C 19.0687 0.1 1 828 339 96 THR N N 109.6381 0.1 1 829 340 97 SER H H 8.4606 0.01 1 830 340 97 SER HA H 4.7877 0.01 1 831 340 97 SER HB2 H 3.5830 0.01 2 832 340 97 SER HB3 H 4.6660 0.01 2 833 340 97 SER CA C 54.8537 0.1 1 834 340 97 SER CB C 64.4006 0.1 1 835 340 97 SER N N 114.4500 0.1 1 836 341 98 GLU H H 8.9494 0.01 1 837 341 98 GLU HA H 4.6958 0.01 1 838 341 98 GLU HB2 H 2.2614 0.01 2 839 341 98 GLU HB3 H 2.0505 0.01 2 840 341 98 GLU HG2 H 2.4826 0.01 2 841 341 98 GLU CA C 51.8588 0.1 1 842 341 98 GLU CB C 27.2571 0.1 1 843 341 98 GLU CG C 31.3356 0.1 1 844 341 98 GLU N N 122.2137 0.1 1 845 342 99 PRO HA H 5.2519 0.01 1 846 342 99 PRO HB2 H 1.9069 0.01 2 847 342 99 PRO HB3 H 2.3328 0.01 2 848 342 99 PRO CA C 59.7558 0.1 1 849 342 99 PRO CB C 31.1444 0.1 1 850 342 99 PRO CG C 24.0632 0.1 1 851 343 100 LYS H H 9.3562 0.01 1 852 343 100 LYS HA H 5.2051 0.01 1 853 343 100 LYS HB2 H 2.0882 0.01 2 854 343 100 LYS HB3 H 1.7047 0.01 2 855 343 100 LYS HG2 H 1.6056 0.01 2 856 343 100 LYS HD2 H 1.9640 0.01 2 857 343 100 LYS HE2 H 3.0807 0.01 2 858 343 100 LYS CA C 49.1862 0.1 1 859 343 100 LYS CB C 31.6297 0.1 1 860 343 100 LYS CG C 22.0928 0.1 1 861 343 100 LYS CD C 26.1129 0.1 1 862 343 100 LYS CE C 40.0000 0.1 1 863 343 100 LYS N N 120.2904 0.1 1 864 344 101 PRO HA H 4.8104 0.01 1 865 344 101 PRO HB2 H 2.2844 0.01 2 866 344 101 PRO HB3 H 1.9617 0.01 2 867 344 101 PRO HG2 H 2.1933 0.01 2 868 344 101 PRO HD2 H 3.9196 0.01 2 869 344 101 PRO CA C 60.4667 0.1 1 870 344 101 PRO CB C 30.0056 0.1 1 871 344 101 PRO CG C 25.4207 0.1 1 872 344 101 PRO CD C 48.3044 0.1 1 873 345 102 PHE H H 8.3782 0.01 1 874 345 102 PHE HA H 4.7145 0.01 1 875 345 102 PHE HB2 H 2.4787 0.01 2 876 345 102 PHE HB3 H 2.6328 0.01 2 877 345 102 PHE CA C 54.5480 0.1 1 878 345 102 PHE CB C 40.7012 0.1 1 879 345 102 PHE N N 122.3178 0.1 1 880 346 103 LEU H H 7.2481 0.01 1 881 346 103 LEU HA H 5.0371 0.01 1 882 346 103 LEU HB2 H 1.3810 0.01 2 883 346 103 LEU HB3 H 1.4939 0.01 2 884 346 103 LEU HG H 1.3619 0.01 1 885 346 103 LEU HD1 H 0.7981 0.01 2 886 346 103 LEU HD2 H 0.8289 0.01 2 887 346 103 LEU CA C 50.8516 0.1 1 888 346 103 LEU CB C 42.9011 0.1 1 889 346 103 LEU CG C 24.4511 0.1 1 890 346 103 LEU CD1 C 22.6194 0.1 1 891 346 103 LEU CD2 C 22.0724 0.1 1 892 346 103 LEU N N 129.1961 0.1 1 893 347 104 TYR H H 8.8779 0.01 1 894 347 104 TYR HA H 5.4788 0.01 1 895 347 104 TYR HB2 H 2.2656 0.01 2 896 347 104 TYR HB3 H 2.4381 0.01 2 897 347 104 TYR CA C 54.2265 0.1 1 898 347 104 TYR CB C 38.2940 0.1 1 899 347 104 TYR N N 123.4035 0.1 1 900 348 105 TYR H H 8.6381 0.01 1 901 348 105 TYR HA H 5.0811 0.01 1 902 348 105 TYR HB2 H 3.1482 0.01 2 903 348 105 TYR HB3 H 2.7998 0.01 2 904 348 105 TYR CA C 51.1523 0.1 1 905 348 105 TYR CB C 36.4905 0.1 1 906 348 105 TYR N N 118.0332 0.1 1 907 349 106 PRO HA H 4.5309 0.01 1 908 349 106 PRO HB2 H 2.1166 0.01 2 909 349 106 PRO HB3 H 2.5070 0.01 2 910 349 106 PRO HG2 H 1.9526 0.01 2 911 349 106 PRO HG3 H 1.5883 0.01 2 912 349 106 PRO HD2 H 3.8794 0.01 2 913 349 106 PRO HD3 H 3.2580 0.01 2 914 349 106 PRO CA C 59.9927 0.1 1 915 349 106 PRO CB C 29.9797 0.1 1 916 349 106 PRO CG C 24.3964 0.1 1 917 349 106 PRO CD C 48.3414 0.1 1 918 350 107 GLU H H 8.2441 0.01 1 919 350 107 GLU HA H 4.0938 0.01 1 920 350 107 GLU HB2 H 2.0750 0.01 2 921 350 107 GLU HB3 H 1.9526 0.01 2 922 350 107 GLU HG2 H 2.3435 0.01 2 923 350 107 GLU CA C 56.8204 0.1 1 924 350 107 GLU CB C 28.5336 0.1 1 925 350 107 GLU CG C 34.9336 0.1 1 926 350 107 GLU N N 125.3288 0.1 1 stop_ save_