data_10023 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shift assignment of human eIF2alpha ; _BMRB_accession_number 10023 _BMRB_flat_file_name bmr10023.str _Entry_type original _Submission_date 2006-08-01 _Accession_date 2006-08-01 _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 Ito Takuhiro . . 2 Wagner Gerhard . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 509 "13C chemical shifts" 910 "15N chemical shifts" 282 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-16 update BMRB 'complete entry citation' 2006-12-04 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Resonance assignments of the alpha subunit of human eukaryotic initiation factor 2 (heIF2alpha) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17122952 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ito Takuhiro . . 2 Wagner Gerhard . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 38 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 173 _Page_last 173 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name se-heIF2alpha _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label se-heIF2alpha $se-heIF2alpha stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_se-heIF2alpha _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common heIF2alpha _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 308 _Mol_residue_sequence ; MSCRFYQHKFPEVEDVVMVN VRSIQEMGAYVSLLEYNNIE GMIHLSELSRRRIRSINKLI RIGRNECVKVIRVDKEKGYI DLSKRRVSPEEAIKCEDKFT KSKTVYSILRHVAEVLEYTK DEQLESLFQRTAWVFDDKYK RPGYGAYDAFKHAVSDPSIL DSLDLNEDEREVLINNINRR LTPQAVKIRADIEVACYGYE GIDAVKEALRAGLNCSTENM PIKINLIAPPRYVMTTTTLE RTEGLSVLSQAMAVIKEKIE EKRGVFNVQMEPKVVTDTDE TELARQMERLERENAEVDGD LEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 3 MET 2 4 SER 3 5 CYS 4 6 ARG 5 7 PHE 6 8 TYR 7 9 GLN 8 10 HIS 9 11 LYS 10 12 PHE 11 13 PRO 12 14 GLU 13 15 VAL 14 16 GLU 15 17 ASP 16 18 VAL 17 19 VAL 18 20 MET 19 21 VAL 20 22 ASN 21 23 VAL 22 24 ARG 23 25 SER 24 26 ILE 25 27 GLN 26 28 GLU 27 29 MET 28 30 GLY 29 31 ALA 30 32 TYR 31 33 VAL 32 34 SER 33 35 LEU 34 36 LEU 35 37 GLU 36 38 TYR 37 39 ASN 38 40 ASN 39 41 ILE 40 42 GLU 41 43 GLY 42 44 MET 43 45 ILE 44 46 HIS 45 47 LEU 46 48 SER 47 49 GLU 48 50 LEU 49 51 SER 50 52 ARG 51 53 ARG 52 54 ARG 53 55 ILE 54 56 ARG 55 57 SER 56 58 ILE 57 59 ASN 58 60 LYS 59 61 LEU 60 62 ILE 61 63 ARG 62 64 ILE 63 65 GLY 64 66 ARG 65 67 ASN 66 68 GLU 67 69 CYS 68 70 VAL 69 71 LYS 70 72 VAL 71 73 ILE 72 74 ARG 73 75 VAL 74 76 ASP 75 77 LYS 76 78 GLU 77 79 LYS 78 80 GLY 79 81 TYR 80 82 ILE 81 83 ASP 82 84 LEU 83 85 SER 84 86 LYS 85 87 ARG 86 88 ARG 87 89 VAL 88 90 SER 89 91 PRO 90 92 GLU 91 93 GLU 92 94 ALA 93 95 ILE 94 96 LYS 95 97 CYS 96 98 GLU 97 99 ASP 98 100 LYS 99 101 PHE 100 102 THR 101 103 LYS 102 104 SER 103 105 LYS 104 106 THR 105 107 VAL 106 108 TYR 107 109 SER 108 110 ILE 109 111 LEU 110 112 ARG 111 113 HIS 112 114 VAL 113 115 ALA 114 116 GLU 115 117 VAL 116 118 LEU 117 119 GLU 118 120 TYR 119 121 THR 120 122 LYS 121 123 ASP 122 124 GLU 123 125 GLN 124 126 LEU 125 127 GLU 126 128 SER 127 129 LEU 128 130 PHE 129 131 GLN 130 132 ARG 131 133 THR 132 134 ALA 133 135 TRP 134 136 VAL 135 137 PHE 136 138 ASP 137 139 ASP 138 140 LYS 139 141 TYR 140 142 LYS 141 143 ARG 142 144 PRO 143 145 GLY 144 146 TYR 145 147 GLY 146 148 ALA 147 149 TYR 148 150 ASP 149 151 ALA 150 152 PHE 151 153 LYS 152 154 HIS 153 155 ALA 154 156 VAL 155 157 SER 156 158 ASP 157 159 PRO 158 160 SER 159 161 ILE 160 162 LEU 161 163 ASP 162 164 SER 163 165 LEU 164 166 ASP 165 167 LEU 166 168 ASN 167 169 GLU 168 170 ASP 169 171 GLU 170 172 ARG 171 173 GLU 172 174 VAL 173 175 LEU 174 176 ILE 175 177 ASN 176 178 ASN 177 179 ILE 178 180 ASN 179 181 ARG 180 182 ARG 181 183 LEU 182 184 THR 183 185 PRO 184 186 GLN 185 187 ALA 186 188 VAL 187 189 LYS 188 190 ILE 189 191 ARG 190 192 ALA 191 193 ASP 192 194 ILE 193 195 GLU 194 196 VAL 195 197 ALA 196 198 CYS 197 199 TYR 198 200 GLY 199 201 TYR 200 202 GLU 201 203 GLY 202 204 ILE 203 205 ASP 204 206 ALA 205 207 VAL 206 208 LYS 207 209 GLU 208 210 ALA 209 211 LEU 210 212 ARG 211 213 ALA 212 214 GLY 213 215 LEU 214 216 ASN 215 217 CYS 216 218 SER 217 219 THR 218 220 GLU 219 221 ASN 220 222 MET 221 223 PRO 222 224 ILE 223 225 LYS 224 226 ILE 225 227 ASN 226 228 LEU 227 229 ILE 228 230 ALA 229 231 PRO 230 232 PRO 231 233 ARG 232 234 TYR 233 235 VAL 234 236 MET 235 237 THR 236 238 THR 237 239 THR 238 240 THR 239 241 LEU 240 242 GLU 241 243 ARG 242 244 THR 243 245 GLU 244 246 GLY 245 247 LEU 246 248 SER 247 249 VAL 248 250 LEU 249 251 SER 250 252 GLN 251 253 ALA 252 254 MET 253 255 ALA 254 256 VAL 255 257 ILE 256 258 LYS 257 259 GLU 258 260 LYS 259 261 ILE 260 262 GLU 261 263 GLU 262 264 LYS 263 265 ARG 264 266 GLY 265 267 VAL 266 268 PHE 267 269 ASN 268 270 VAL 269 271 GLN 270 272 MET 271 273 GLU 272 274 PRO 273 275 LYS 274 276 VAL 275 277 VAL 276 278 THR 277 279 ASP 278 280 THR 279 281 ASP 280 282 GLU 281 283 THR 282 284 GLU 283 285 LEU 284 286 ALA 285 287 ARG 286 288 GLN 287 289 MET 288 290 GLU 289 291 ARG 290 292 LEU 291 293 GLU 292 294 ARG 293 295 GLU 294 296 ASN 295 297 ALA 296 298 GLU 297 299 VAL 298 300 ASP 299 301 GLY 300 302 ASP 301 303 LEU 302 304 GLU 303 305 HIS 304 306 HIS 305 307 HIS 306 308 HIS 307 309 HIS 308 310 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-06 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1Q8K "Solution Structure Of Alpha Subunit Of Human Eif2" 100.00 308 100.00 100.00 0.00e+00 DBJ BAB27049 "unnamed protein product [Mus musculus]" 97.40 315 97.67 98.67 0.00e+00 DBJ BAE25400 "unnamed protein product [Mus musculus]" 97.40 315 97.67 98.67 0.00e+00 DBJ BAE39796 "unnamed protein product [Mus musculus]" 97.40 315 97.67 98.67 0.00e+00 DBJ BAE89774 "unnamed protein product [Macaca fascicularis]" 97.40 315 98.67 99.00 0.00e+00 DBJ BAG35351 "unnamed protein product [Homo sapiens]" 97.40 315 98.67 99.00 0.00e+00 EMBL CAA37728 "initiation factor 2 alpha [Bos taurus]" 97.40 315 97.67 98.67 0.00e+00 EMBL CAD61953 "unnamed protein product [Homo sapiens]" 97.40 315 98.67 99.00 0.00e+00 EMBL CAH93423 "hypothetical protein [Pongo abelii]" 97.40 315 98.33 98.67 0.00e+00 GB AAA41110 "translational initiation factor eIF-2, alpha subunit [Rattus norvegicus]" 97.40 315 97.67 98.67 0.00e+00 GB AAA52373 "translational initiation factor eIF-2, alpha subunit [Homo sapiens]" 97.40 315 98.67 99.00 0.00e+00 GB AAH02513 "EIF2S1 protein [Homo sapiens]" 97.40 315 98.67 99.00 0.00e+00 GB AAH05463 "Eukaryotic translation initiation factor 2, subunit 1 alpha [Mus musculus]" 97.40 315 97.67 98.67 0.00e+00 GB AAH16448 "Eukaryotic translation initiation factor 2, subunit 1 alpha [Mus musculus]" 97.40 315 97.67 98.67 0.00e+00 REF NP_001127006 "eukaryotic translation initiation factor 2 subunit 1 [Pongo abelii]" 97.40 315 98.33 98.67 0.00e+00 REF NP_001244395 "eukaryotic translation initiation factor 2 subunit 1 [Macaca mulatta]" 97.40 315 98.67 99.00 0.00e+00 REF NP_001270066 "uncharacterized protein LOC101925386 [Macaca fascicularis]" 97.40 315 98.67 99.00 0.00e+00 REF NP_004085 "eukaryotic translation initiation factor 2 subunit 1 [Homo sapiens]" 97.40 315 98.67 99.00 0.00e+00 REF NP_062229 "eukaryotic translation initiation factor 2 subunit 1 [Rattus norvegicus]" 97.40 315 97.67 98.67 0.00e+00 SP P05198 "RecName: Full=Eukaryotic translation initiation factor 2 subunit 1; AltName: Full=Eukaryotic translation initiation factor 2 su" 97.40 315 98.67 99.00 0.00e+00 SP P68101 "RecName: Full=Eukaryotic translation initiation factor 2 subunit 1; AltName: Full=Eukaryotic translation initiation factor 2 su" 97.40 315 97.67 98.67 0.00e+00 SP P68102 "RecName: Full=Eukaryotic translation initiation factor 2 subunit 1; AltName: Full=Eukaryotic translation initiation factor 2 su" 97.40 315 97.67 98.67 0.00e+00 SP Q5R493 "RecName: Full=Eukaryotic translation initiation factor 2 subunit 1; AltName: Full=Eukaryotic translation initiation factor 2 su" 97.40 315 98.33 98.67 0.00e+00 SP Q6ZWX6 "RecName: Full=Eukaryotic translation initiation factor 2 subunit 1; AltName: Full=Eukaryotic translation initiation factor 2 su" 97.40 315 97.67 98.67 0.00e+00 TPG DAA25059 "TPA: eukaryotic translation initiation factor 2 subunit 1 [Bos taurus]" 97.40 315 97.67 98.67 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Fraction $se-heIF2alpha human 9606 Eukaryota Metazoa Homo sapiens no stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $se-heIF2alpha 'recombinant technology' . . . . . 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 $se-heIF2alpha 0.5 mM '[U-2H; U-13C; U-15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $se-heIF2alpha 0.5 mM '[NA-I,L,V-Me; U-2H; 13C-I,L,V; U-15N]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $se-heIF2alpha 0.5 mM '[NA-I,L,V-Me; NA-F,Y; U-2H; 13C-I,L,V-Me; U-15N]' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $se-heIF2alpha 0.5 mM '[NA-F; U-2H]' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $se-heIF2alpha 0.5 mM '[NA-Y; U-2H]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer CMR _Model G _Field_strength 750 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 750 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_5 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label . save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label . save_ save_3D_TROSY-HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCO' _Sample_label . save_ save_3D_TROSY-HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CA)CO' _Sample_label . save_ save_3D_TROSY-HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCA' _Sample_label . save_ save_3D_TROSY-HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CO)CA' _Sample_label . save_ save_3D_TROSY-HN(CA)CB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CA)CB' _Sample_label . save_ save_3D_TROSY-HN(COCA)CB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(COCA)CB' _Sample_label . save_ save_3D_15N-NOESY-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-NOESY-HSQC' _Sample_label . save_ save_3D_TROSY-Me-H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-Me-H(CCO)NH' _Sample_label . save_ save_3D_TROSY-Me-C(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-Me-C(CO)NH' _Sample_label . save_ save_3D_Me-HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D Me-HCCH-TOCSY' _Sample_label . save_ save_3D_Me-HMQC-NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D Me-HMQC-NOESY' _Sample_label . save_ save_4D_Me-HMQC-NOESY-Me-HMQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '4D Me-HMQC-NOESY-Me-HMQC' _Sample_label . save_ save_2D_NOESY_for_aromatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY for aromatic' _Sample_label . save_ save_2D_TOCSY_for_aromatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY for aromatic' _Sample_label . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.1 pH temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_eIF2alpha_chem_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 $sample_5 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name se-heIF2alpha _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 5 3 CYS C C 171.626 0.05 1 2 5 3 CYS CA C 58.057 0.1 1 3 6 4 ARG H H 7.935 0.005 1 4 6 4 ARG C C 172.4 0.05 1 5 6 4 ARG CA C 54.785 0.1 1 6 6 4 ARG CB C 28.49 0.3 1 7 6 4 ARG N N 123.47 0.05 1 8 7 5 PHE H H 7.325 0.005 1 9 7 5 PHE HD1 H 6.78 0.005 3 10 7 5 PHE HE1 H 6.52 0.005 3 11 7 5 PHE HZ H 6.64 0.005 1 12 7 5 PHE C C 177.824 0.05 1 13 7 5 PHE CA C 55.966 0.1 1 14 7 5 PHE CB C 37.28 0.3 1 15 7 5 PHE N N 113.664 0.05 1 16 8 6 TYR H H 8.341 0.005 1 17 8 6 TYR HB2 H 2 0.005 2 18 8 6 TYR HB3 H 3.14 0.005 2 19 8 6 TYR HD1 H 6.73 0.005 3 20 8 6 TYR C C 172.662 0.05 1 21 8 6 TYR CA C 52.92 0.1 1 22 8 6 TYR CB C 40.44 0.3 1 23 8 6 TYR N N 119.318 0.05 1 24 9 7 GLN H H 8.323 0.005 1 25 9 7 GLN C C 178.579 0.05 1 26 9 7 GLN CA C 58.082 0.1 1 27 9 7 GLN CB C 28.56 0.3 1 28 9 7 GLN N N 117.217 0.05 1 29 10 8 HIS H H 7.583 0.005 1 30 10 8 HIS C C 174.42 0.05 1 31 10 8 HIS CA C 54.784 0.1 1 32 10 8 HIS CB C 30.12 0.3 1 33 10 8 HIS N N 115.075 0.05 1 34 11 9 LYS H H 8.377 0.005 1 35 11 9 LYS C C 175.444 0.05 1 36 11 9 LYS CA C 58.31 0.1 1 37 11 9 LYS CB C 34.08 0.3 1 38 11 9 LYS N N 118.73 0.05 1 39 12 10 PHE H H 7.7 0.005 1 40 12 10 PHE HB2 H 2.616 0.005 2 41 12 10 PHE HB3 H 2.81 0.005 2 42 12 10 PHE HD1 H 7.062 0.005 3 43 12 10 PHE HE1 H 7.286 0.005 3 44 12 10 PHE HZ H 7.314 0.005 1 45 12 10 PHE CA C 54.082 0.1 1 46 12 10 PHE CB C 41.71 0.3 1 47 12 10 PHE N N 113.402 0.05 1 48 13 11 PRO C C 174.18 0.05 1 49 13 11 PRO CA C 61.116 0.1 1 50 14 12 GLU H H 8.077 0.005 1 51 14 12 GLU C C 176.914 0.05 1 52 14 12 GLU CA C 53.86 0.1 1 53 14 12 GLU CB C 31.68 0.3 1 54 14 12 GLU N N 117.03 0.05 1 55 15 13 VAL H H 8.491 0.005 1 56 15 13 VAL HB H 1.891 0.005 1 57 15 13 VAL HG1 H 0.915 0.005 2 58 15 13 VAL HG2 H 0.97 0.005 2 59 15 13 VAL C C 177.287 0.05 1 60 15 13 VAL CA C 65.336 0.1 1 61 15 13 VAL CB C 30.89 0.3 1 62 15 13 VAL CG1 C 22.975 0.08 2 63 15 13 VAL CG2 C 21.698 0.08 2 64 15 13 VAL N N 121.312 0.05 1 65 16 14 GLU H H 8.837 0.005 1 66 16 14 GLU C C 175.988 0.05 1 67 16 14 GLU CA C 59.71 0.1 1 68 16 14 GLU CB C 27.7 0.3 1 69 16 14 GLU N N 119.504 0.05 1 70 17 15 ASP H H 8.169 0.005 1 71 17 15 ASP C C 175.327 0.05 1 72 17 15 ASP CA C 54.795 0.1 1 73 17 15 ASP CB C 41.3 0.3 1 74 17 15 ASP N N 120.705 0.05 1 75 18 16 VAL H H 8.498 0.005 1 76 18 16 VAL HB H 2.11 0.005 1 77 18 16 VAL HG1 H 0.9 0.005 2 78 18 16 VAL HG2 H 0.84 0.005 2 79 18 16 VAL C C 175.806 0.05 1 80 18 16 VAL CA C 61.349 0.1 1 81 18 16 VAL CG1 C 22.8 0.08 2 82 18 16 VAL CG2 C 21.698 0.08 2 83 18 16 VAL N N 121.705 0.05 1 84 19 17 VAL H H 9.447 0.005 1 85 19 17 VAL HG1 H 0.68 0.005 2 86 19 17 VAL HG2 H 0.509 0.005 2 87 19 17 VAL C C 173.806 0.05 1 88 19 17 VAL CA C 58.073 0.1 1 89 19 17 VAL CB C 34.92 0.3 1 90 19 17 VAL CG2 C 18.824 0.08 2 91 19 17 VAL N N 120.582 0.05 1 92 20 18 MET H H 7.991 0.005 1 93 20 18 MET C C 177.082 0.05 1 94 20 18 MET CA C 52.92 0.1 1 95 20 18 MET N N 120 0.05 1 96 21 19 VAL H H 9.376 0.005 1 97 21 19 VAL HG1 H 0.69 0.005 1 98 21 19 VAL HG2 H 0.645 0.005 1 99 21 19 VAL C C 173.081 0.05 1 100 21 19 VAL CA C 57.36 0.1 1 101 21 19 VAL CB C 34.88 0.3 1 102 21 19 VAL CG1 C 22.38 0.08 1 103 21 19 VAL CG2 C 18.34 0.08 1 104 21 19 VAL N N 122.368 0.05 1 105 22 20 ASN H H 8.528 0.005 1 106 22 20 ASN C C 175.301 0.05 1 107 22 20 ASN CA C 52.21 0.1 1 108 22 20 ASN CB C 43.62 0.3 1 109 22 20 ASN N N 118.274 0.05 1 110 23 21 VAL H H 8.105 0.005 1 111 23 21 VAL HB H 2.478 0.005 1 112 23 21 VAL HG1 H 0.699 0.005 2 113 23 21 VAL HG2 H 0.903 0.005 2 114 23 21 VAL C C 174.69 0.05 1 115 23 21 VAL CA C 64.156 0.1 1 116 23 21 VAL CB C 30.89 0.3 1 117 23 21 VAL CG1 C 21.516 0.08 2 118 23 21 VAL CG2 C 20.604 0.08 2 119 23 21 VAL N N 126.66 0.05 1 120 24 22 ARG H H 9.037 0.005 1 121 24 22 ARG C C 176.527 0.05 1 122 24 22 ARG CA C 56.646 0.1 1 123 24 22 ARG CB C 31.7 0.3 1 124 24 22 ARG N N 129.1 0.05 1 125 25 23 SER H H 8.113 0.005 1 126 25 23 SER C C 172.183 0.05 1 127 25 23 SER CA C 57.604 0.1 1 128 25 23 SER CB C 64.35 0.3 1 129 25 23 SER N N 111.092 0.05 1 130 26 24 ILE H H 8.663 0.005 1 131 26 24 ILE HD1 H 0.735 0.005 1 132 26 24 ILE C C 174.734 0.05 1 133 26 24 ILE CA C 61.344 0.1 1 134 26 24 ILE CB C 39.67 0.3 1 135 26 24 ILE CD1 C 14.07 0.08 1 136 26 24 ILE N N 122.774 0.05 1 137 27 25 GLN H H 8.704 0.005 1 138 27 25 GLN C C 175.645 0.05 1 139 27 25 GLN CA C 53.609 0.1 1 140 27 25 GLN CB C 30.96 0.3 1 141 27 25 GLN N N 126.1 0.05 1 142 28 26 GLU H H 8.774 0.005 1 143 28 26 GLU C C 177.636 0.05 1 144 28 26 GLU CA C 59.714 0.1 1 145 28 26 GLU CB C 29.29 0.3 1 146 28 26 GLU N N 119.821 0.05 1 147 29 27 MET H H 8.115 0.005 1 148 29 27 MET C C 176.228 0.05 1 149 29 27 MET CA C 54.547 0.1 1 150 29 27 MET N N 111.022 0.05 1 151 30 28 GLY H H 7.385 0.005 1 152 30 28 GLY C C 169.928 0.05 1 153 30 28 GLY CA C 45.182 0.1 1 154 30 28 GLY N N 107.01 0.05 1 155 31 29 ALA H H 8.603 0.005 1 156 31 29 ALA C C 175.682 0.05 1 157 31 29 ALA CA C 49.415 0.1 1 158 31 29 ALA CB C 22.1 0.3 1 159 31 29 ALA N N 120.407 0.05 1 160 32 30 TYR H H 8.825 0.005 1 161 32 30 TYR HB2 H 2.91 0.005 2 162 32 30 TYR HB3 H 3.04 0.005 2 163 32 30 TYR HD1 H 6.99 0.005 3 164 32 30 TYR HE1 H 6.63 0.005 3 165 32 30 TYR C C 176.657 0.05 1 166 32 30 TYR CA C 57.602 0.1 1 167 32 30 TYR CB C 38.88 0.3 1 168 32 30 TYR N N 122.91 0.05 1 169 33 31 VAL H H 8.813 0.005 1 170 33 31 VAL HB H 1.89 0.005 1 171 33 31 VAL HG1 H 0.7 0.005 2 172 33 31 VAL HG2 H 0.355 0.005 2 173 33 31 VAL C C 173.613 0.05 1 174 33 31 VAL CA C 57.596 0.1 1 175 33 31 VAL CB C 34.88 0.3 1 176 33 31 VAL CG1 C 21.516 0.08 2 177 33 31 VAL CG2 C 19.51 0.08 2 178 33 31 VAL N N 114.905 0.05 1 179 34 32 SER H H 8.827 0.005 1 180 34 32 SER C C 174.638 0.05 1 181 34 32 SER CA C 55.979 0.1 1 182 34 32 SER CB C 65.11 0.3 1 183 34 32 SER N N 115.448 0.05 1 184 35 33 LEU H H 9.3 0.005 1 185 35 33 LEU HD1 H 0.647 0.005 1 186 35 33 LEU HD2 H 0.603 0.005 1 187 35 33 LEU C C 177.144 0.05 1 188 35 33 LEU CA C 57.144 0.1 1 189 35 33 LEU CB C 39.65 0.3 1 190 35 33 LEU CD1 C 23.522 0.08 1 191 35 33 LEU CD2 C 27.534 0.08 1 192 35 33 LEU N N 126.16 0.05 1 193 36 34 LEU H H 7.506 0.005 1 194 36 34 LEU HD1 H 0.6 0.005 1 195 36 34 LEU HD2 H 0.84 0.005 1 196 36 34 LEU CA C 56.661 0.1 1 197 36 34 LEU CD1 C 25.528 0.08 1 198 36 34 LEU CD2 C 21.881 0.08 1 199 36 34 LEU N N 127.45 0.05 1 200 37 35 GLU C C 175.289 0.05 1 201 37 35 GLU CA C 54.87 0.1 1 202 38 36 TYR H H 7 0.005 1 203 38 36 TYR HB2 H 2.97 0.005 2 204 38 36 TYR HB3 H 3.14 0.005 2 205 38 36 TYR HD1 H 6.99 0.005 3 206 38 36 TYR C C 176.242 0.05 1 207 38 36 TYR CA C 56.435 0.1 1 208 38 36 TYR CB C 38.06 0.3 1 209 38 36 TYR N N 116.2 0.05 1 210 39 37 ASN H H 9.331 0.005 1 211 39 37 ASN C C 174.294 0.05 1 212 39 37 ASN CA C 52.674 0.1 1 213 39 37 ASN CB C 38.05 0.3 1 214 39 37 ASN N N 120.802 0.05 1 215 40 38 ASN H H 7.632 0.005 1 216 40 38 ASN C C 174.914 0.05 1 217 40 38 ASN CA C 54.784 0.1 1 218 40 38 ASN CB C 35.7 0.3 1 219 40 38 ASN N N 107.62 0.05 1 220 41 39 ILE H H 6.633 0.005 1 221 41 39 ILE HD1 H 0.79 0.005 1 222 41 39 ILE C C 174.845 0.05 1 223 41 39 ILE CA C 62.524 0.1 1 224 41 39 ILE CB C 38.05 0.3 1 225 41 39 ILE CD1 C 14.404 0.08 1 226 41 39 ILE N N 111.705 0.05 1 227 42 40 GLU H H 8.327 0.005 1 228 42 40 GLU C C 176.783 0.05 1 229 42 40 GLU CA C 56.663 0.1 1 230 42 40 GLU CB C 32.49 0.3 1 231 42 40 GLU N N 121.837 0.05 1 232 43 41 GLY H H 8.354 0.005 1 233 43 41 GLY C C 171.506 0.05 1 234 43 41 GLY CA C 44.247 0.1 1 235 43 41 GLY N N 108.152 0.05 1 236 44 42 MET H H 8.4 0.005 1 237 44 42 MET C C 174.259 0.05 1 238 44 42 MET CA C 54.087 0.1 1 239 44 42 MET CB C 36.47 0.3 1 240 44 42 MET N N 119.99 0.05 1 241 45 43 ILE H H 8.874 0.005 1 242 45 43 ILE HD1 H 0.585 0.005 1 243 45 43 ILE C C 175.151 0.05 1 244 45 43 ILE CA C 59.013 0.1 1 245 45 43 ILE CB C 39.65 0.3 1 246 45 43 ILE CD1 C 15.503 0.08 1 247 45 43 ILE N N 123.406 0.05 1 248 46 44 HIS H H 9.36 0.005 1 249 46 44 HIS C C 176.963 0.05 1 250 46 44 HIS CA C 58.309 0.1 1 251 46 44 HIS CB C 30.94 0.3 1 252 46 44 HIS N N 127.897 0.05 1 253 47 45 LEU H H 7.82 0.005 1 254 47 45 LEU HG H 1.518 0.005 1 255 47 45 LEU HD1 H 0.89 0.005 1 256 47 45 LEU C C 178.971 0.05 1 257 47 45 LEU CA C 58.31 0.1 1 258 47 45 LEU CB C 42.06 0.3 1 259 47 45 LEU CD1 C 24.251 0.08 1 260 47 45 LEU N N 125.6 0.05 1 261 48 46 SER H H 9.54 0.005 1 262 48 46 SER C C 175.479 0.05 1 263 48 46 SER CA C 60.411 0.1 1 264 48 46 SER N N 114.988 0.05 1 265 49 47 GLU H H 8.201 0.005 1 266 49 47 GLU C C 177.28 0.05 1 267 49 47 GLU CA C 54.79 0.1 1 268 49 47 GLU CB C 29.29 0.3 1 269 49 47 GLU N N 118.056 0.05 1 270 50 48 LEU H H 7.947 0.005 1 271 50 48 LEU HG H 1.717 0.005 1 272 50 48 LEU HD1 H 0.85 0.005 1 273 50 48 LEU HD2 H 0.772 0.005 1 274 50 48 LEU C C 175.621 0.05 1 275 50 48 LEU CA C 56.441 0.1 1 276 50 48 LEU CB C 43.62 0.3 1 277 50 48 LEU CD1 C 25.892 0.08 1 278 50 48 LEU CD2 C 24.981 0.08 1 279 50 48 LEU N N 123.452 0.05 1 280 51 49 SER H H 7.813 0.005 1 281 51 49 SER CA C 56.659 0.1 1 282 51 49 SER CB C 65.11 0.3 1 283 51 49 SER N N 110.397 0.05 1 284 52 50 ARG H H 8.44 0.005 1 285 52 50 ARG C C 176.962 0.05 1 286 52 50 ARG CA C 57.307 0.1 1 287 52 50 ARG N N 124.274 0.05 1 288 53 51 ARG H H 8.36 0.005 1 289 53 51 ARG C C 176.019 0.05 1 290 53 51 ARG CA C 55.231 0.1 1 291 53 51 ARG N N 119.25 0.05 1 292 54 52 ARG H H 8.336 0.005 1 293 54 52 ARG C C 176.24 0.05 1 294 54 52 ARG CA C 56.196 0.1 1 295 54 52 ARG N N 120.35 0.05 1 296 55 53 ILE H H 8.098 0.005 1 297 55 53 ILE HD1 H 0.81 0.005 1 298 55 53 ILE CA C 60.643 0.1 1 299 55 53 ILE CD1 C 13.31 0.08 1 300 55 53 ILE N N 122.546 0.05 1 301 57 55 SER C C 175.665 0.05 1 302 58 56 ILE H H 8.704 0.005 1 303 58 56 ILE HD1 H 0.76 0.005 1 304 58 56 ILE C C 176.291 0.05 1 305 58 56 ILE CA C 64.166 0.1 1 306 58 56 ILE CD1 C 13.86 0.08 1 307 58 56 ILE N N 126.41 0.05 1 308 59 57 ASN H H 8.16 0.005 1 309 59 57 ASN C C 175.856 0.05 1 310 59 57 ASN CA C 55.05 0.1 1 311 59 57 ASN CB C 38.06 0.3 1 312 59 57 ASN N N 117.037 0.05 1 313 60 58 LYS H H 7.676 0.005 1 314 60 58 LYS C C 177.11 0.05 1 315 60 58 LYS CA C 56.212 0.1 1 316 60 58 LYS CB C 32.45 0.3 1 317 60 58 LYS N N 116.659 0.05 1 318 61 59 LEU H H 7.76 0.005 1 319 61 59 LEU HG H 1.63 0.005 1 320 61 59 LEU HD1 H 0.846 0.005 2 321 61 59 LEU HD2 H 0.865 0.005 2 322 61 59 LEU C C 176.239 0.05 1 323 61 59 LEU CA C 55.491 0.1 1 324 61 59 LEU CB C 44.43 0.3 1 325 61 59 LEU CD1 C 23.34 0.08 2 326 61 59 LEU CD2 C 26.075 0.08 2 327 61 59 LEU N N 119.138 0.05 1 328 62 60 ILE H H 7.664 0.005 1 329 62 60 ILE HD1 H 0.623 0.005 1 330 62 60 ILE C C 172.602 0.05 1 331 62 60 ILE CA C 59.013 0.1 1 332 62 60 ILE CB C 41.23 0.3 1 333 62 60 ILE CD1 C 14.039 0.08 1 334 62 60 ILE N N 116.028 0.05 1 335 63 61 ARG H H 8.581 0.005 1 336 63 61 ARG C C 175.422 0.05 1 337 63 61 ARG CA C 54.084 0.1 1 338 63 61 ARG CB C 32.51 0.3 1 339 63 61 ARG N N 122 0.05 1 340 64 62 ILE H H 8.485 0.005 1 341 64 62 ILE HD1 H 0.898 0.005 1 342 64 62 ILE C C 177.607 0.05 1 343 64 62 ILE CA C 62.524 0.1 1 344 64 62 ILE CB C 37.28 0.3 1 345 64 62 ILE CD1 C 13.31 0.08 1 346 64 62 ILE N N 122.985 0.05 1 347 65 63 GLY H H 9.132 0.005 1 348 65 63 GLY C C 174.116 0.05 1 349 65 63 GLY CA C 45.184 0.1 1 350 65 63 GLY N N 114.8 0.05 1 351 66 64 ARG H H 7.566 0.005 1 352 66 64 ARG C C 175.264 0.05 1 353 66 64 ARG CA C 54.321 0.1 1 354 66 64 ARG CB C 31.68 0.3 1 355 66 64 ARG N N 121.4 0.05 1 356 67 65 ASN H H 8.519 0.005 1 357 67 65 ASN C C 175.869 0.05 1 358 67 65 ASN CA C 51.497 0.1 1 359 67 65 ASN CB C 38.82 0.3 1 360 67 65 ASN N N 122.672 0.05 1 361 68 66 GLU H H 8.86 0.005 1 362 68 66 GLU C C 174.531 0.05 1 363 68 66 GLU CA C 53.634 0.1 1 364 68 66 GLU CB C 34.06 0.3 1 365 68 66 GLU N N 118.028 0.05 1 366 69 67 CYS H H 8.839 0.005 1 367 69 67 CYS C C 174.759 0.05 1 368 69 67 CYS CA C 57.139 0.1 1 369 69 67 CYS CB C 27.66 0.3 1 370 69 67 CYS N N 121.53 0.05 1 371 70 68 VAL H H 8.906 0.005 1 372 70 68 VAL HG1 H 0.7 0.005 2 373 70 68 VAL HG2 H 0.604 0.005 2 374 70 68 VAL C C 172.378 0.05 1 375 70 68 VAL CA C 58.545 0.1 1 376 70 68 VAL CB C 35.65 0.3 1 377 70 68 VAL CG1 C 22.61 0.08 2 378 70 68 VAL CG2 C 22.428 0.08 2 379 70 68 VAL N N 114.811 0.05 1 380 71 69 LYS H H 9.004 0.005 1 381 71 69 LYS C C 176.215 0.05 1 382 71 69 LYS CA C 54.087 0.1 1 383 71 69 LYS CB C 34.84 0.3 1 384 71 69 LYS N N 122.144 0.05 1 385 72 70 VAL H H 9.182 0.005 1 386 72 70 VAL HB H 2.26 0.005 1 387 72 70 VAL HG1 H 0.53 0.005 2 388 72 70 VAL HG2 H 0.69 0.005 2 389 72 70 VAL C C 176.33 0.05 1 390 72 70 VAL CA C 62.761 0.1 1 391 72 70 VAL CG1 C 22.428 0.08 2 392 72 70 VAL CG2 C 21.516 0.08 2 393 72 70 VAL N N 127.4 0.05 1 394 73 71 ILE H H 8.86 0.005 1 395 73 71 ILE HD1 H 0.697 0.005 1 396 73 71 ILE C C 175.849 0.05 1 397 73 71 ILE CA C 61.077 0.1 1 398 73 71 ILE CB C 38.84 0.3 1 399 73 71 ILE CD1 C 13.31 0.08 1 400 73 71 ILE N N 123.838 0.05 1 401 74 72 ARG H H 7.555 0.005 1 402 74 72 ARG C C 173.306 0.05 1 403 74 72 ARG CA C 56.896 0.1 1 404 74 72 ARG N N 121.199 0.05 1 405 75 73 VAL H H 8.675 0.005 1 406 75 73 VAL HB H 1.78 0.005 1 407 75 73 VAL HG1 H 0.573 0.005 1 408 75 73 VAL HG2 H 0.71 0.005 1 409 75 73 VAL C C 173.942 0.05 1 410 75 73 VAL CA C 60.888 0.1 1 411 75 73 VAL CB C 34.85 0.3 1 412 75 73 VAL CG1 C 20.604 0.08 1 413 75 73 VAL CG2 C 21.334 0.08 1 414 75 73 VAL N N 124.44 0.05 1 415 76 74 ASP H H 8.767 0.005 1 416 76 74 ASP C C 176.787 0.05 1 417 76 74 ASP CA C 52.205 0.1 1 418 76 74 ASP CB C 42.02 0.3 1 419 76 74 ASP N N 127.244 0.05 1 420 77 75 LYS H H 8.702 0.005 1 421 77 75 LYS C C 177.638 0.05 1 422 77 75 LYS CA C 58.305 0.1 1 423 77 75 LYS CB C 31.73 0.3 1 424 77 75 LYS N N 124.4 0.05 1 425 78 76 GLU H H 8.127 0.005 1 426 78 76 GLU C C 178.251 0.05 1 427 78 76 GLU CA C 58.305 0.1 1 428 78 76 GLU CB C 29.32 0.3 1 429 78 76 GLU N N 119.25 0.05 1 430 79 77 LYS H H 7.721 0.005 1 431 79 77 LYS C C 177.201 0.05 1 432 79 77 LYS CA C 55.727 0.1 1 433 79 77 LYS CB C 28.53 0.3 1 434 79 77 LYS N N 116.3 0.05 1 435 80 78 GLY H H 7.743 0.005 1 436 80 78 GLY C C 173.703 0.05 1 437 80 78 GLY CA C 46.118 0.1 1 438 80 78 GLY N N 108.12 0.05 1 439 81 79 TYR H H 7.305 0.005 1 440 81 79 TYR HB2 H 2.743 0.005 2 441 81 79 TYR HB3 H 3.01 0.005 2 442 81 79 TYR HD1 H 6.964 0.005 3 443 81 79 TYR HE1 H 6.78 0.005 3 444 81 79 TYR C C 174.568 0.05 1 445 81 79 TYR CA C 55.498 0.1 1 446 81 79 TYR CB C 39.65 0.3 1 447 81 79 TYR N N 118.2 0.05 1 448 82 80 ILE H H 8.41 0.005 1 449 82 80 ILE HD1 H 0.771 0.005 1 450 82 80 ILE C C 173.962 0.05 1 451 82 80 ILE CA C 60.185 0.1 1 452 82 80 ILE CB C 40.45 0.3 1 453 82 80 ILE CD1 C 14.039 0.08 1 454 82 80 ILE N N 124.531 0.05 1 455 83 81 ASP H H 8.691 0.005 1 456 83 81 ASP C C 176.79 0.05 1 457 83 81 ASP CA C 53.612 0.1 1 458 83 81 ASP CB C 43.58 0.3 1 459 83 81 ASP N N 127.4 0.05 1 460 84 82 LEU H H 8.67 0.005 1 461 84 82 LEU HD1 H 0.565 0.005 2 462 84 82 LEU HD2 H 0.7 0.005 2 463 84 82 LEU C C 176.449 0.05 1 464 84 82 LEU CA C 53.373 0.1 1 465 84 82 LEU CB C 46.03 0.3 1 466 84 82 LEU CD1 C 27.92 0.08 2 467 84 82 LEU CD2 C 21.66 0.08 2 468 84 82 LEU N N 122.9 0.05 1 469 85 83 SER H H 9.295 0.005 1 470 85 83 SER C C 175.525 0.05 1 471 85 83 SER CA C 56.66 0.1 1 472 85 83 SER CB C 65.9 0.3 1 473 85 83 SER N N 111.28 0.05 1 474 86 84 LYS H H 7.986 0.005 1 475 86 84 LYS C C 177.021 0.05 1 476 86 84 LYS CA C 57.834 0.1 1 477 86 84 LYS N N 129.159 0.05 1 478 87 85 ARG H H 8.031 0.005 1 479 87 85 ARG C C 176.525 0.05 1 480 87 85 ARG CA C 57.816 0.1 1 481 87 85 ARG N N 117.82 0.05 1 482 88 86 ARG H H 7.134 0.005 1 483 88 86 ARG C C 174.164 0.05 1 484 88 86 ARG CA C 55.955 0.1 1 485 88 86 ARG CB C 30.89 0.3 1 486 88 86 ARG N N 116.276 0.05 1 487 89 87 VAL H H 7.087 0.005 1 488 89 87 VAL HB H 2.15 0.005 1 489 89 87 VAL HG1 H 1.034 0.005 2 490 89 87 VAL HG2 H 0.942 0.005 2 491 89 87 VAL C C 175.929 0.05 1 492 89 87 VAL CA C 61.821 0.1 1 493 89 87 VAL CB C 32.51 0.3 1 494 89 87 VAL CG1 C 24.616 0.08 2 495 89 87 VAL CG2 C 22.063 0.08 2 496 89 87 VAL N N 119.761 0.05 1 497 90 88 SER H H 9.67 0.005 1 498 90 88 SER CA C 56.196 0.1 1 499 90 88 SER CB C 63.52 0.3 1 500 90 88 SER N N 128.246 0.05 1 501 91 89 PRO C C 179.491 0.05 1 502 91 89 PRO CA C 65.572 0.1 1 503 91 89 PRO CB C 31.7 0.3 1 504 92 90 GLU H H 8.685 0.005 1 505 92 90 GLU C C 179.584 0.05 1 506 92 90 GLU CA C 59.708 0.1 1 507 92 90 GLU CB C 29.27 0.3 1 508 92 90 GLU N N 116.5 0.05 1 509 93 91 GLU H H 7.889 0.005 1 510 93 91 GLU C C 180.074 0.05 1 511 93 91 GLU CA C 58.535 0.1 1 512 93 91 GLU N N 119.967 0.05 1 513 94 92 ALA H H 8.276 0.005 1 514 94 92 ALA C C 179.606 0.05 1 515 94 92 ALA CA C 55.259 0.1 1 516 94 92 ALA CB C 16.54 0.3 1 517 94 92 ALA N N 123.612 0.05 1 518 95 93 ILE H H 7.866 0.005 1 519 95 93 ILE HD1 H 0.845 0.005 1 520 95 93 ILE C C 179.213 0.05 1 521 95 93 ILE CA C 64.644 0.1 1 522 95 93 ILE CB C 38.05 0.3 1 523 95 93 ILE CD1 C 13.128 0.08 1 524 95 93 ILE N N 119 0.05 1 525 96 94 LYS H H 7.66 0.005 1 526 96 94 LYS C C 178.189 0.05 1 527 96 94 LYS CA C 59.221 0.1 1 528 96 94 LYS CB C 32.43 0.3 1 529 96 94 LYS N N 120.777 0.05 1 530 97 95 CYS H H 8.128 0.005 1 531 97 95 CYS C C 177.968 0.05 1 532 97 95 CYS CA C 61.554 0.1 1 533 97 95 CYS N N 120.38 0.05 1 534 98 96 GLU H H 8.357 0.005 1 535 98 96 GLU C C 178.916 0.05 1 536 98 96 GLU CA C 59.936 0.1 1 537 98 96 GLU N N 119.307 0.05 1 538 99 97 ASP H H 7.981 0.005 1 539 99 97 ASP C C 176.796 0.05 1 540 99 97 ASP CA C 57.825 0.1 1 541 99 97 ASP CB C 42.86 0.3 1 542 99 97 ASP N N 121.103 0.05 1 543 100 98 LYS H H 8.393 0.005 1 544 100 98 LYS C C 178.774 0.05 1 545 100 98 LYS CA C 59.723 0.1 1 546 100 98 LYS CB C 32.45 0.3 1 547 100 98 LYS N N 120.868 0.05 1 548 101 99 PHE H H 9.182 0.005 1 549 101 99 PHE HB2 H 3.14 0.005 2 550 101 99 PHE HD1 H 7.28 0.005 3 551 101 99 PHE HE1 H 7.122 0.005 3 552 101 99 PHE HZ H 7.333 0.005 1 553 101 99 PHE C C 176.398 0.05 1 554 101 99 PHE CA C 61.385 0.1 1 555 101 99 PHE N N 119.7 0.05 1 556 102 100 THR H H 8.414 0.005 1 557 102 100 THR C C 177.534 0.05 1 558 102 100 THR CA C 66.925 0.1 1 559 102 100 THR CB C 69.1 0.3 1 560 102 100 THR N N 115.001 0.05 1 561 103 101 LYS H H 7.75 0.005 1 562 103 101 LYS C C 178.2 0.05 1 563 103 101 LYS CA C 60.179 0.1 1 564 103 101 LYS CB C 32.48 0.3 1 565 103 101 LYS N N 123.859 0.05 1 566 104 102 SER H H 8.785 0.005 1 567 104 102 SER C C 176.807 0.05 1 568 104 102 SER CA C 61.6 0.1 1 569 104 102 SER N N 117.938 0.05 1 570 105 103 LYS H H 8.835 0.005 1 571 105 103 LYS C C 179.186 0.05 1 572 105 103 LYS CA C 58.087 0.1 1 573 105 103 LYS CB C 30.89 0.3 1 574 105 103 LYS N N 122.2 0.05 1 575 106 104 THR H H 7.541 0.005 1 576 106 104 THR C C 176.111 0.05 1 577 106 104 THR CA C 67.23 0.1 1 578 106 104 THR CB C 63.55 0.3 1 579 106 104 THR N N 119.798 0.05 1 580 107 105 VAL H H 7.437 0.005 1 581 107 105 VAL HB H 2.75 0.005 1 582 107 105 VAL HG1 H 0.59 0.005 1 583 107 105 VAL HG2 H 0.86 0.005 1 584 107 105 VAL C C 177.012 0.05 1 585 107 105 VAL CA C 67.453 0.1 1 586 107 105 VAL CB C 30.92 0.3 1 587 107 105 VAL CG1 C 20.422 0.08 1 588 107 105 VAL CG2 C 21.881 0.08 1 589 107 105 VAL N N 124.108 0.05 1 590 108 106 TYR H H 8.426 0.005 1 591 108 106 TYR HB2 H 2.485 0.005 2 592 108 106 TYR HB3 H 2.748 0.005 2 593 108 106 TYR HD1 H 7.066 0.005 3 594 108 106 TYR HE1 H 6.918 0.005 3 595 108 106 TYR C C 176.796 0.05 1 596 108 106 TYR CA C 61.586 0.1 1 597 108 106 TYR CB C 38.8 0.3 1 598 108 106 TYR N N 119.658 0.05 1 599 109 107 SER H H 8.515 0.005 1 600 109 107 SER C C 177.992 0.05 1 601 109 107 SER CA C 61.574 0.1 1 602 109 107 SER CB C 62.75 0.3 1 603 109 107 SER N N 113.936 0.05 1 604 110 108 ILE H H 7.983 0.005 1 605 110 108 ILE HD1 H 0.867 0.005 1 606 110 108 ILE C C 177.653 0.05 1 607 110 108 ILE CA C 65.572 0.1 1 608 110 108 ILE CB C 38.06 0.3 1 609 110 108 ILE CD1 C 14.951 0.08 1 610 110 108 ILE N N 122.92 0.05 1 611 111 109 LEU H H 8.006 0.005 1 612 111 109 LEU HD1 H -0.268 0.005 1 613 111 109 LEU HD2 H 0.57 0.005 1 614 111 109 LEU C C 178.749 0.05 1 615 111 109 LEU CA C 57.367 0.1 1 616 111 109 LEU CD1 C 24.434 0.08 1 617 111 109 LEU CD2 C 22.61 0.08 1 618 111 109 LEU N N 118.914 0.05 1 619 112 110 ARG H H 9.18 0.005 1 620 112 110 ARG C C 179.266 0.05 1 621 112 110 ARG CA C 58.551 0.1 1 622 112 110 ARG CB C 28.52 0.3 1 623 112 110 ARG N N 119.655 0.05 1 624 113 111 HIS H H 7.8 0.005 1 625 113 111 HIS C C 177.326 0.05 1 626 113 111 HIS CA C 59.56 0.1 1 627 113 111 HIS CB C 28.62 0.3 1 628 113 111 HIS N N 119.25 0.05 1 629 114 112 VAL H H 8.147 0.005 1 630 114 112 VAL HG1 H 0.983 0.005 2 631 114 112 VAL HG2 H 0.7 0.005 2 632 114 112 VAL C C 176.73 0.05 1 633 114 112 VAL CA C 65.571 0.1 1 634 114 112 VAL CB C 30.12 0.3 1 635 114 112 VAL CG1 C 23.42 0.08 2 636 114 112 VAL CG2 C 21.56 0.08 2 637 114 112 VAL N N 120.834 0.05 1 638 115 113 ALA H H 8.106 0.005 1 639 115 113 ALA C C 178.386 0.05 1 640 115 113 ALA CA C 54.554 0.1 1 641 115 113 ALA CB C 18.25 0.3 1 642 115 113 ALA N N 119.036 0.05 1 643 116 114 GLU H H 7.743 0.005 1 644 116 114 GLU C C 180.773 0.05 1 645 116 114 GLU CA C 58.769 0.1 1 646 116 114 GLU N N 117.7 0.05 1 647 117 115 VAL H H 8.01 0.005 1 648 117 115 VAL HG1 H 0.844 0.005 1 649 117 115 VAL HG2 H 0.845 0.005 1 650 117 115 VAL C C 178.161 0.05 1 651 117 115 VAL CA C 65.568 0.1 1 652 117 115 VAL CG1 C 21.516 0.08 1 653 117 115 VAL CG2 C 22.428 0.08 1 654 117 115 VAL N N 121.909 0.05 1 655 118 116 LEU H H 7.57 0.005 1 656 118 116 LEU HD1 H 0.477 0.005 1 657 118 116 LEU HD2 H 0.609 0.005 1 658 118 116 LEU C C 174.923 0.05 1 659 118 116 LEU CA C 54.325 0.1 1 660 118 116 LEU CB C 40.41 0.3 1 661 118 116 LEU CD1 C 27.534 0.08 1 662 118 116 LEU CD2 C 21.881 0.08 1 663 118 116 LEU N N 117.7 0.05 1 664 119 117 GLU H H 7.535 0.005 1 665 119 117 GLU C C 176.437 0.05 1 666 119 117 GLU CA C 56.902 0.1 1 667 119 117 GLU CB C 26.12 0.3 1 668 119 117 GLU N N 114.025 0.05 1 669 120 118 TYR H H 8.64 0.005 1 670 120 118 TYR HB2 H 2.792 0.005 2 671 120 118 TYR HB3 H 3.077 0.005 2 672 120 118 TYR HD1 H 6.74 0.005 3 673 120 118 TYR HE1 H 6.74 0.005 3 674 120 118 TYR C C 176.625 0.05 1 675 120 118 TYR CA C 53.154 0.1 1 676 120 118 TYR CB C 34.86 0.3 1 677 120 118 TYR N N 120.7 0.05 1 678 121 119 THR H H 8.012 0.005 1 679 121 119 THR C C 175.458 0.05 1 680 121 119 THR CA C 61.821 0.1 1 681 121 119 THR CB C 69.89 0.3 1 682 121 119 THR N N 112.841 0.05 1 683 122 120 LYS H H 8.311 0.005 1 684 122 120 LYS CA C 54.784 0.1 1 685 122 120 LYS N N 121.481 0.05 1 686 124 122 GLU C C 179.516 0.05 1 687 125 123 GLN H H 7.361 0.005 1 688 125 123 GLN C C 178.904 0.05 1 689 125 123 GLN CA C 57.601 0.1 1 690 125 123 GLN CB C 28.56 0.3 1 691 125 123 GLN N N 118.7 0.05 1 692 126 124 LEU H H 7.356 0.005 1 693 126 124 LEU HD1 H 0.87 0.005 1 694 126 124 LEU HD2 H 0.88 0.005 1 695 126 124 LEU C C 176.83 0.05 1 696 126 124 LEU CA C 57.596 0.1 1 697 126 124 LEU CB C 40.47 0.3 1 698 126 124 LEU CD1 C 23.522 0.08 1 699 126 124 LEU CD2 C 26.075 0.08 1 700 126 124 LEU N N 122.48 0.05 1 701 127 125 GLU H H 8.34 0.005 1 702 127 125 GLU C C 177.92 0.05 1 703 127 125 GLU CA C 59.706 0.1 1 704 127 125 GLU CB C 28.8 0.3 1 705 127 125 GLU N N 119.5 0.05 1 706 128 126 SER H H 7.625 0.005 1 707 128 126 SER C C 176.977 0.05 1 708 128 126 SER CA C 59.733 0.1 1 709 128 126 SER CB C 62.71 0.3 1 710 128 126 SER N N 111.517 0.05 1 711 129 127 LEU H H 7.5 0.005 1 712 129 127 LEU HD1 H 0.845 0.005 1 713 129 127 LEU HD2 H 0.82 0.005 1 714 129 127 LEU C C 180.494 0.05 1 715 129 127 LEU CA C 58.06 0.1 1 716 129 127 LEU CB C 42.01 0.3 1 717 129 127 LEU CD1 C 23.522 0.08 1 718 129 127 LEU CD2 C 25.528 0.08 1 719 129 127 LEU N N 119.958 0.05 1 720 130 128 PHE H H 8.11 0.005 1 721 130 128 PHE HB2 H 2.251 0.005 2 722 130 128 PHE HD1 H 6.71 0.005 3 723 130 128 PHE HE1 H 7.073 0.005 3 724 130 128 PHE HZ H 7.017 0.005 1 725 130 128 PHE C C 178.737 0.05 1 726 130 128 PHE CA C 62.762 0.1 1 727 130 128 PHE CB C 37.94 0.3 1 728 130 128 PHE N N 122.814 0.05 1 729 131 129 GLN H H 8.49 0.005 1 730 131 129 GLN C C 177.522 0.05 1 731 131 129 GLN CA C 58.535 0.1 1 732 131 129 GLN CB C 28.53 0.3 1 733 131 129 GLN N N 118.42 0.05 1 734 132 130 ARG H H 7.52 0.005 1 735 132 130 ARG C C 176.66 0.05 1 736 132 130 ARG CA C 56.43 0.1 1 737 132 130 ARG CB C 30.96 0.3 1 738 132 130 ARG N N 112.802 0.05 1 739 133 131 THR H H 7.398 0.005 1 740 133 131 THR C C 173.721 0.05 1 741 133 131 THR CA C 58.553 0.1 1 742 133 131 THR CB C 70.68 0.3 1 743 133 131 THR N N 107.692 0.05 1 744 134 132 ALA H H 9.355 0.005 1 745 134 132 ALA C C 178.34 0.05 1 746 134 132 ALA CA C 55.018 0.1 1 747 134 132 ALA CB C 23.01 0.3 1 748 134 132 ALA N N 127.8 0.05 1 749 135 133 TRP H H 8.394 0.005 1 750 135 133 TRP HE1 H 10.2 0.005 1 751 135 133 TRP C C 179.734 0.05 1 752 135 133 TRP CA C 57.602 0.1 1 753 135 133 TRP CB C 28.53 0.3 1 754 135 133 TRP N N 115.17 0.05 1 755 135 133 TRP NE1 N 131.105 0.05 1 756 136 134 VAL H H 7.267 0.005 1 757 136 134 VAL HB H 1.818 0.005 1 758 136 134 VAL HG1 H 0.494 0.005 1 759 136 134 VAL HG2 H 0.981 0.005 1 760 136 134 VAL C C 179.331 0.05 1 761 136 134 VAL CA C 65.598 0.1 1 762 136 134 VAL CB C 30.95 0.3 1 763 136 134 VAL CG1 C 20.239 0.08 1 764 136 134 VAL CG2 C 21.881 0.08 1 765 136 134 VAL N N 122.4 0.05 1 766 137 135 PHE H H 7.183 0.005 1 767 137 135 PHE HB2 H 2.762 0.005 2 768 137 135 PHE HB3 H 3.097 0.005 2 769 137 135 PHE HD1 H 7.12 0.005 3 770 137 135 PHE HE1 H 7.28 0.005 3 771 137 135 PHE C C 178.089 0.05 1 772 137 135 PHE CA C 60.647 0.1 1 773 137 135 PHE N N 119.587 0.05 1 774 138 136 ASP H H 8.97 0.005 1 775 138 136 ASP C C 179.236 0.05 1 776 138 136 ASP CA C 58.046 0.1 1 777 138 136 ASP CB C 41.25 0.3 1 778 138 136 ASP N N 121.499 0.05 1 779 139 137 ASP H H 7.485 0.005 1 780 139 137 ASP C C 178.423 0.05 1 781 139 137 ASP CA C 56.893 0.1 1 782 139 137 ASP CB C 42.05 0.3 1 783 139 137 ASP N N 118.67 0.05 1 784 140 138 LYS H H 8.333 0.005 1 785 140 138 LYS C C 178.641 0.05 1 786 140 138 LYS CA C 59.015 0.1 1 787 140 138 LYS N N 120.832 0.05 1 788 141 139 TYR H H 8.22 0.005 1 789 141 139 TYR HB2 H 2.862 0.005 2 790 141 139 TYR HB3 H 3.339 0.005 2 791 141 139 TYR HD1 H 7.37 0.005 3 792 141 139 TYR HE1 H 6.81 0.005 3 793 141 139 TYR C C 174.735 0.05 1 794 141 139 TYR CA C 57.596 0.1 1 795 141 139 TYR CB C 38.08 0.3 1 796 141 139 TYR N N 114.536 0.05 1 797 142 140 LYS H H 7.814 0.005 1 798 142 140 LYS C C 176.256 0.05 1 799 142 140 LYS CA C 56.426 0.1 1 800 142 140 LYS CB C 29.31 0.3 1 801 142 140 LYS N N 117.535 0.05 1 802 143 141 ARG H H 7.722 0.005 1 803 143 141 ARG CA C 53.153 0.1 1 804 143 141 ARG CB C 33.35 0.3 1 805 143 141 ARG N N 116.2 0.05 1 806 144 142 PRO C C 178.366 0.05 1 807 144 142 PRO CA C 63.23 0.1 1 808 144 142 PRO CB C 30.89 0.3 1 809 145 143 GLY H H 9.727 0.005 1 810 145 143 GLY C C 175.551 0.05 1 811 145 143 GLY CA C 47.051 0.1 1 812 145 143 GLY N N 116.686 0.05 1 813 146 144 TYR H H 7.952 0.005 1 814 146 144 TYR HB2 H 2.389 0.005 2 815 146 144 TYR HB3 H 3.186 0.005 2 816 146 144 TYR HD1 H 7.16 0.005 3 817 146 144 TYR HE1 H 6.88 0.005 3 818 146 144 TYR C C 177.688 0.05 1 819 146 144 TYR CA C 60.882 0.1 1 820 146 144 TYR CB C 39.62 0.3 1 821 146 144 TYR N N 120.179 0.05 1 822 147 145 GLY H H 8.943 0.005 1 823 147 145 GLY C C 175.239 0.05 1 824 147 145 GLY CA C 47.753 0.1 1 825 147 145 GLY N N 107.7 0.05 1 826 148 146 ALA H H 9.047 0.005 1 827 148 146 ALA C C 177.995 0.05 1 828 148 146 ALA CA C 55.263 0.1 1 829 148 146 ALA N N 123.78 0.05 1 830 149 147 TYR H H 7.717 0.005 1 831 149 147 TYR HB2 H 2.737 0.005 2 832 149 147 TYR HB3 H 2.915 0.005 2 833 149 147 TYR HD1 H 7.23 0.005 3 834 149 147 TYR HE1 H 6.81 0.005 3 835 149 147 TYR C C 176.086 0.05 1 836 149 147 TYR CA C 62.524 0.1 1 837 149 147 TYR CB C 38.05 0.3 1 838 149 147 TYR N N 116.499 0.05 1 839 150 148 ASP H H 8.751 0.005 1 840 150 148 ASP C C 179.783 0.05 1 841 150 148 ASP CA C 57.131 0.1 1 842 150 148 ASP CB C 40.38 0.3 1 843 150 148 ASP N N 118.41 0.05 1 844 151 149 ALA H H 8.06 0.005 1 845 151 149 ALA C C 179.125 0.05 1 846 151 149 ALA CA C 54.554 0.1 1 847 151 149 ALA N N 123.351 0.05 1 848 152 150 PHE H H 8.642 0.005 1 849 152 150 PHE HB2 H 2.631 0.005 2 850 152 150 PHE HB3 H 3.194 0.005 2 851 152 150 PHE HD1 H 6.952 0.005 3 852 152 150 PHE HE1 H 7.04 0.005 3 853 152 150 PHE HZ H 6.98 0.005 1 854 152 150 PHE C C 177.216 0.05 1 855 152 150 PHE CA C 58.306 0.1 1 856 152 150 PHE CB C 35.69 0.3 1 857 152 150 PHE N N 118.679 0.05 1 858 153 151 LYS H H 8.39 0.005 1 859 153 151 LYS C C 180.587 0.05 1 860 153 151 LYS CA C 58.995 0.1 1 861 153 151 LYS CB C 31.71 0.3 1 862 153 151 LYS N N 117.5 0.05 1 863 154 152 HIS H H 8.236 0.005 1 864 154 152 HIS C C 177.328 0.05 1 865 154 152 HIS CA C 58.772 0.1 1 866 154 152 HIS CB C 30.09 0.3 1 867 154 152 HIS N N 121.4 0.05 1 868 155 153 ALA H H 8.147 0.005 1 869 155 153 ALA C C 177.197 0.05 1 870 155 153 ALA CA C 53.143 0.1 1 871 155 153 ALA CB C 17.37 0.3 1 872 155 153 ALA N N 121.726 0.05 1 873 156 154 VAL H H 7.053 0.005 1 874 156 154 VAL HB H 2.03 0.005 1 875 156 154 VAL HG1 H 0.944 0.005 2 876 156 154 VAL HG2 H 0.895 0.005 2 877 156 154 VAL C C 177.44 0.05 1 878 156 154 VAL CA C 65.328 0.1 1 879 156 154 VAL CB C 32.51 0.3 1 880 156 154 VAL CG1 C 23.522 0.08 2 881 156 154 VAL CG2 C 21.516 0.08 2 882 156 154 VAL N N 115.877 0.05 1 883 157 155 SER H H 7.138 0.005 1 884 157 155 SER C C 174.712 0.05 1 885 157 155 SER CA C 58.782 0.1 1 886 157 155 SER CB C 63.55 0.3 1 887 157 155 SER N N 111.3 0.05 1 888 158 156 ASP H H 7.99 0.005 1 889 158 156 ASP CA C 50.81 0.1 1 890 158 156 ASP CB C 40.47 0.3 1 891 158 156 ASP N N 118.7 0.05 1 892 159 157 PRO C C 178.177 0.05 1 893 159 157 PRO CA C 64.039 0.1 1 894 160 158 SER H H 8.044 0.005 1 895 160 158 SER C C 177.201 0.05 1 896 160 158 SER CA C 61.108 0.1 1 897 160 158 SER CB C 62.73 0.3 1 898 160 158 SER N N 117.437 0.05 1 899 161 159 ILE H H 7.35 0.005 1 900 161 159 ILE HB H 38.05 0.005 1 901 161 159 ILE HD1 H 0.73 0.005 1 902 161 159 ILE C C 176.344 0.05 1 903 161 159 ILE CA C 63.226 0.1 1 904 161 159 ILE CD1 C 13.675 0.08 1 905 161 159 ILE N N 123.7 0.05 1 906 162 160 LEU H H 7.78 0.005 1 907 162 160 LEU HD2 H 0.73 0.005 2 908 162 160 LEU C C 179.399 0.05 1 909 162 160 LEU CA C 54.319 0.1 1 910 162 160 LEU CB C 40.41 0.3 1 911 162 160 LEU CD2 C 26.075 0.08 2 912 162 160 LEU N N 116.56 0.05 1 913 163 161 ASP H H 8.061 0.005 1 914 163 161 ASP CA C 57.598 0.1 1 915 163 161 ASP CB C 40.45 0.3 1 916 163 161 ASP N N 121.7 0.05 1 917 164 162 SER C C 174.402 0.05 1 918 164 162 SER CA C 58.769 0.1 1 919 165 163 LEU H H 7.179 0.005 1 920 165 163 LEU HD1 H 1.05 0.005 1 921 165 163 LEU HD2 H 0.58 0.005 1 922 165 163 LEU C C 177.191 0.05 1 923 165 163 LEU CA C 53.614 0.1 1 924 165 163 LEU CB C 42.04 0.3 1 925 165 163 LEU CD1 C 26.44 0.08 1 926 165 163 LEU CD2 C 19.692 0.08 1 927 165 163 LEU N N 120.213 0.05 1 928 166 164 ASP H H 9.622 0.005 1 929 166 164 ASP C C 174.04 0.05 1 930 166 164 ASP CA C 52.919 0.1 1 931 166 164 ASP CB C 39.59 0.3 1 932 166 164 ASP N N 124.6 0.05 1 933 167 165 LEU H H 7.294 0.005 1 934 167 165 LEU HD1 H 0.6 0.005 2 935 167 165 LEU HD2 H 0.685 0.005 2 936 167 165 LEU C C 177.417 0.05 1 937 167 165 LEU CA C 52.441 0.1 1 938 167 165 LEU CB C 46.01 0.3 1 939 167 165 LEU CD1 C 22.245 0.08 2 940 167 165 LEU CD2 C 26.622 0.08 2 941 167 165 LEU N N 121.91 0.05 1 942 168 166 ASN H H 8.895 0.005 1 943 168 166 ASN C C 175.449 0.05 1 944 168 166 ASN CA C 51.273 0.1 1 945 168 166 ASN CB C 38.09 0.3 1 946 168 166 ASN N N 120.768 0.05 1 947 169 167 GLU H H 8.651 0.005 1 948 169 167 GLU C C 178.78 0.05 1 949 169 167 GLU CA C 59.94 0.1 1 950 169 167 GLU CB C 29.33 0.3 1 951 169 167 GLU N N 117.7 0.05 1 952 170 168 ASP H H 8 0.005 1 953 170 168 ASP C C 177.876 0.05 1 954 170 168 ASP CA C 56.895 0.1 1 955 170 168 ASP CB C 40.47 0.3 1 956 170 168 ASP N N 119.9 0.05 1 957 171 169 GLU H H 8.415 0.005 1 958 171 169 GLU C C 178.033 0.05 1 959 171 169 GLU CA C 58.766 0.1 1 960 171 169 GLU CB C 31.67 0.3 1 961 171 169 GLU N N 118.442 0.05 1 962 172 170 ARG H H 8.325 0.005 1 963 172 170 ARG C C 177.133 0.05 1 964 172 170 ARG CA C 60.173 0.1 1 965 172 170 ARG CB C 30.1 0.3 1 966 172 170 ARG N N 116.776 0.05 1 967 173 171 GLU H H 7.746 0.005 1 968 173 171 GLU C C 178.975 0.05 1 969 173 171 GLU CA C 59.009 0.1 1 970 173 171 GLU N N 118.05 0.05 1 971 174 172 VAL H H 8.14 0.005 1 972 174 172 VAL HG1 H 0.96 0.005 2 973 174 172 VAL HG2 H 1.025 0.005 2 974 174 172 VAL C C 179.698 0.05 1 975 174 172 VAL CA C 65.571 0.1 1 976 174 172 VAL CG1 C 23.53 0.08 2 977 174 172 VAL CG2 C 23.28 0.08 2 978 174 172 VAL N N 118.853 0.05 1 979 175 173 LEU H H 8.6 0.005 1 980 175 173 LEU HD1 H 0.605 0.005 1 981 175 173 LEU HD2 H 0.465 0.005 1 982 175 173 LEU C C 177.901 0.05 1 983 175 173 LEU CA C 58.538 0.1 1 984 175 173 LEU CB C 41.2 0.3 1 985 175 173 LEU CD1 C 26.95 0.08 1 986 175 173 LEU CD2 C 23.71 0.08 1 987 175 173 LEU N N 123.626 0.05 1 988 176 174 ILE H H 8.392 0.005 1 989 176 174 ILE HD1 H 0.795 0.005 1 990 176 174 ILE C C 177.803 0.05 1 991 176 174 ILE CA C 64.397 0.1 1 992 176 174 ILE CB C 37.29 0.3 1 993 176 174 ILE CD1 C 13.86 0.08 1 994 176 174 ILE N N 119.7 0.05 1 995 177 175 ASN H H 7.971 0.005 1 996 177 175 ASN C C 178.182 0.05 1 997 177 175 ASN CA C 56.194 0.1 1 998 177 175 ASN CB C 38.82 0.3 1 999 177 175 ASN N N 118.194 0.05 1 1000 178 176 ASN H H 8.054 0.005 1 1001 178 176 ASN C C 177.383 0.05 1 1002 178 176 ASN CA C 57.366 0.1 1 1003 178 176 ASN N N 118.2 0.05 1 1004 179 177 ILE H H 8.762 0.005 1 1005 179 177 ILE HD1 H 0.044 0.005 1 1006 179 177 ILE C C 177.47 0.05 1 1007 179 177 ILE CA C 66.504 0.1 1 1008 179 177 ILE CB C 38.08 0.3 1 1009 179 177 ILE CD1 C 13.675 0.08 1 1010 179 177 ILE N N 123.4 0.05 1 1011 180 178 ASN H H 8.227 0.005 1 1012 180 178 ASN C C 178.603 0.05 1 1013 180 178 ASN CA C 55.962 0.1 1 1014 180 178 ASN CB C 38.82 0.3 1 1015 180 178 ASN N N 117.7 0.05 1 1016 181 179 ARG H H 7.744 0.005 1 1017 181 179 ARG C C 177.543 0.05 1 1018 181 179 ARG CA C 58.066 0.1 1 1019 181 179 ARG N N 117.795 0.05 1 1020 182 180 ARG H H 7.509 0.005 1 1021 182 180 ARG C C 177.216 0.05 1 1022 182 180 ARG CA C 55.728 0.1 1 1023 182 180 ARG CB C 30.94 0.3 1 1024 182 180 ARG N N 114.705 0.05 1 1025 183 181 LEU H H 8.39 0.005 1 1026 183 181 LEU HG H 1.47 0.005 1 1027 183 181 LEU HD1 H 0.617 0.005 1 1028 183 181 LEU HD2 H 0.834 0.005 1 1029 183 181 LEU C C 176.655 0.05 1 1030 183 181 LEU CA C 54.316 0.1 1 1031 183 181 LEU CB C 42.09 0.3 1 1032 183 181 LEU CD1 C 26.075 0.08 1 1033 183 181 LEU CD2 C 23.34 0.08 1 1034 183 181 LEU N N 117.5 0.05 1 1035 184 182 THR H H 7.392 0.005 1 1036 184 182 THR CA C 61.116 0.1 1 1037 184 182 THR CB C 69.89 0.3 1 1038 184 182 THR N N 116.656 0.05 1 1039 185 183 PRO C C 176.225 0.05 1 1040 185 183 PRO CA C 63.228 0.1 1 1041 186 184 GLN H H 8.436 0.005 1 1042 186 184 GLN C C 174.881 0.05 1 1043 186 184 GLN CA C 54.553 0.1 1 1044 186 184 GLN CB C 30.13 0.3 1 1045 186 184 GLN N N 121.211 0.05 1 1046 187 185 ALA H H 8.365 0.005 1 1047 187 185 ALA C C 177.405 0.05 1 1048 187 185 ALA CA C 52.22 0.1 1 1049 187 185 ALA CB C 18.98 0.3 1 1050 187 185 ALA N N 125.628 0.05 1 1051 188 186 VAL H H 8.778 0.005 1 1052 188 186 VAL HB H 2.14 0.005 1 1053 188 186 VAL HG1 H 0.927 0.005 1 1054 188 186 VAL HG2 H 0.83 0.005 1 1055 188 186 VAL C C 173.579 0.05 1 1056 188 186 VAL CA C 59.253 0.1 1 1057 188 186 VAL CB C 34.09 0.3 1 1058 188 186 VAL CG1 C 22.063 0.08 1 1059 188 186 VAL CG2 C 19.145 0.08 1 1060 188 186 VAL N N 117.42 0.05 1 1061 189 187 LYS H H 8.628 0.005 1 1062 189 187 LYS C C 174.42 0.05 1 1063 189 187 LYS CA C 54.788 0.1 1 1064 189 187 LYS CB C 34.06 0.3 1 1065 189 187 LYS N N 124.326 0.05 1 1066 190 188 ILE H H 8.76 0.005 1 1067 190 188 ILE HD1 H 0.663 0.005 1 1068 190 188 ILE C C 174.134 0.05 1 1069 190 188 ILE CA C 58.069 0.1 1 1070 190 188 ILE CB C 38.85 0.3 1 1071 190 188 ILE CD1 C 13.31 0.08 1 1072 190 188 ILE N N 125.6 0.05 1 1073 191 189 ARG H H 8.842 0.005 1 1074 191 189 ARG C C 172.942 0.05 1 1075 191 189 ARG CA C 53.608 0.1 1 1076 191 189 ARG CB C 36.49 0.3 1 1077 191 189 ARG N N 127.4 0.05 1 1078 192 190 ALA H H 9.166 0.005 1 1079 192 190 ALA C C 174.645 0.05 1 1080 192 190 ALA CA C 51.042 0.1 1 1081 192 190 ALA CB C 24.51 0.3 1 1082 192 190 ALA N N 125.912 0.05 1 1083 193 191 ASP H H 8.714 0.005 1 1084 193 191 ASP C C 176.42 0.05 1 1085 193 191 ASP CA C 52.68 0.1 1 1086 193 191 ASP CB C 42.02 0.3 1 1087 193 191 ASP N N 119.2 0.05 1 1088 194 192 ILE H H 9.02 0.005 1 1089 194 192 ILE HD1 H 0.82 0.005 1 1090 194 192 ILE C C 173.131 0.05 1 1091 194 192 ILE CA C 59.004 0.1 1 1092 194 192 ILE CB C 42.06 0.3 1 1093 194 192 ILE CD1 C 14.039 0.08 1 1094 194 192 ILE N N 116.773 0.05 1 1095 195 193 GLU H H 8.802 0.005 1 1096 195 193 GLU C C 175.402 0.05 1 1097 195 193 GLU CA C 54.08 0.1 1 1098 195 193 GLU CB C 32.48 0.3 1 1099 195 193 GLU N N 121.4 0.05 1 1100 196 194 VAL H H 8.528 0.005 1 1101 196 194 VAL HG1 H 0.905 0.005 2 1102 196 194 VAL HG2 H 0.87 0.005 2 1103 196 194 VAL C C 173.371 0.05 1 1104 196 194 VAL CA C 60.183 0.1 1 1105 196 194 VAL CB C 31.67 0.3 1 1106 196 194 VAL CG1 C 22.975 0.08 2 1107 196 194 VAL CG2 C 21.698 0.08 2 1108 196 194 VAL N N 120.162 0.05 1 1109 197 195 ALA H H 8.635 0.005 1 1110 197 195 ALA C C 175.23 0.05 1 1111 197 195 ALA CA C 51.036 0.1 1 1112 197 195 ALA CB C 22.98 0.3 1 1113 197 195 ALA N N 125.611 0.05 1 1114 198 196 CYS H H 8.241 0.005 1 1115 198 196 CYS C C 172.754 0.05 1 1116 198 196 CYS CA C 59.71 0.1 1 1117 198 196 CYS CB C 28.45 0.3 1 1118 198 196 CYS N N 119.2 0.05 1 1119 199 197 TYR H H 8.963 0.005 1 1120 199 197 TYR HB2 H 2.81 0.005 2 1121 199 197 TYR HB3 H 3.27 0.005 2 1122 199 197 TYR HD1 H 7.15 0.005 3 1123 199 197 TYR HE1 H 6.755 0.005 3 1124 199 197 TYR C C 176.302 0.05 1 1125 199 197 TYR CA C 57.6 0.1 1 1126 199 197 TYR CB C 38.05 0.3 1 1127 199 197 TYR N N 127.736 0.05 1 1128 200 198 GLY H H 8.076 0.005 1 1129 200 198 GLY C C 174.686 0.05 1 1130 200 198 GLY CA C 44.23 0.1 1 1131 200 198 GLY N N 109.224 0.05 1 1132 201 199 TYR H H 8.506 0.005 1 1133 201 199 TYR HB2 H 3.01 0.005 2 1134 201 199 TYR HB3 H 3.11 0.005 2 1135 201 199 TYR HD1 H 7.15 0.005 3 1136 201 199 TYR HE1 H 6.86 0.005 3 1137 201 199 TYR C C 177.541 0.05 1 1138 201 199 TYR CA C 60.175 0.1 1 1139 201 199 TYR N N 121.065 0.05 1 1140 202 200 GLU H H 8.879 0.005 1 1141 202 200 GLU C C 177.975 0.05 1 1142 202 200 GLU CA C 57.366 0.1 1 1143 202 200 GLU CB C 28.49 0.3 1 1144 202 200 GLU N N 119.827 0.05 1 1145 203 201 GLY H H 7.73 0.005 1 1146 203 201 GLY C C 175.396 0.05 1 1147 203 201 GLY CA C 47.054 0.1 1 1148 203 201 GLY N N 107.653 0.05 1 1149 204 202 ILE H H 8.183 0.005 1 1150 204 202 ILE HD1 H 0.926 0.005 1 1151 204 202 ILE C C 177.605 0.05 1 1152 204 202 ILE CA C 62.288 0.1 1 1153 204 202 ILE CB C 38.06 0.3 1 1154 204 202 ILE CD1 C 12.945 0.08 1 1155 204 202 ILE N N 122.379 0.05 1 1156 205 203 ASP H H 7.973 0.005 1 1157 205 203 ASP C C 178.459 0.05 1 1158 205 203 ASP CA C 56.902 0.1 1 1159 205 203 ASP CB C 40.45 0.3 1 1160 205 203 ASP N N 121.682 0.05 1 1161 206 204 ALA H H 7.679 0.005 1 1162 206 204 ALA C C 180.101 0.05 1 1163 206 204 ALA CA C 54.788 0.1 1 1164 206 204 ALA CB C 19 0.3 1 1165 206 204 ALA N N 122.9 0.05 1 1166 207 205 VAL H H 7.538 0.005 1 1167 207 205 VAL HB H 2.28 0.005 1 1168 207 205 VAL HG1 H 0.794 0.005 1 1169 207 205 VAL HG2 H 0.941 0.005 1 1170 207 205 VAL C C 177.426 0.05 1 1171 207 205 VAL CA C 66.504 0.1 1 1172 207 205 VAL CB C 30.98 0.3 1 1173 207 205 VAL CG1 C 20.604 0.08 1 1174 207 205 VAL CG2 C 23.157 0.08 1 1175 207 205 VAL N N 119 0.05 1 1176 208 206 LYS H H 8.052 0.005 1 1177 208 206 LYS C C 179.384 0.05 1 1178 208 206 LYS CA C 60.159 0.1 1 1179 208 206 LYS N N 118.151 0.05 1 1180 209 207 GLU H H 8.057 0.005 1 1181 209 207 GLU C C 179.14 0.05 1 1182 209 207 GLU CA C 58.77 0.1 1 1183 209 207 GLU N N 118.227 0.05 1 1184 210 208 ALA H H 7.94 0.005 1 1185 210 208 ALA C C 178.726 0.05 1 1186 210 208 ALA CA C 55.024 0.1 1 1187 210 208 ALA CB C 18.97 0.3 1 1188 210 208 ALA N N 123.631 0.05 1 1189 211 209 LEU H H 8.393 0.005 1 1190 211 209 LEU HD1 H 0.28 0.005 1 1191 211 209 LEU HD2 H 0.29 0.005 1 1192 211 209 LEU C C 179.307 0.05 1 1193 211 209 LEU CA C 57.829 0.1 1 1194 211 209 LEU CB C 40.5 0.3 1 1195 211 209 LEU CD1 C 25.892 0.08 1 1196 211 209 LEU CD2 C 21.334 0.08 1 1197 211 209 LEU N N 116.101 0.05 1 1198 212 210 ARG H H 8.074 0.005 1 1199 212 210 ARG C C 178.49 0.05 1 1200 212 210 ARG CA C 59.009 0.1 1 1201 212 210 ARG CB C 29.32 0.3 1 1202 212 210 ARG N N 118.267 0.05 1 1203 213 211 ALA H H 7.605 0.005 1 1204 213 211 ALA C C 181.082 0.05 1 1205 213 211 ALA CA C 54.563 0.1 1 1206 213 211 ALA CB C 17.5 0.3 1 1207 213 211 ALA N N 121.432 0.05 1 1208 214 212 GLY H H 7.78 0.005 1 1209 214 212 GLY C C 175.463 0.05 1 1210 214 212 GLY CA C 47.067 0.1 1 1211 214 212 GLY N N 105.998 0.05 1 1212 215 213 LEU H H 8.335 0.005 1 1213 215 213 LEU HG H 1.745 0.005 1 1214 215 213 LEU HD1 H 0.837 0.005 2 1215 215 213 LEU HD2 H 0.89 0.005 2 1216 215 213 LEU C C 179.924 0.05 1 1217 215 213 LEU CA C 57.375 0.1 1 1218 215 213 LEU CB C 40.9 0.3 1 1219 215 213 LEU CD1 C 23.704 0.08 2 1220 215 213 LEU CD2 C 25.163 0.08 2 1221 215 213 LEU N N 121.3 0.05 1 1222 216 214 ASN H H 7.903 0.005 1 1223 216 214 ASN C C 175.898 0.05 1 1224 216 214 ASN CA C 54.088 0.1 1 1225 216 214 ASN CB C 38.05 0.3 1 1226 216 214 ASN N N 118.075 0.05 1 1227 217 215 CYS H H 7.712 0.005 1 1228 217 215 CYS C C 173.931 0.05 1 1229 217 215 CYS CA C 60.644 0.1 1 1230 217 215 CYS CB C 27.72 0.3 1 1231 217 215 CYS N N 116.699 0.05 1 1232 218 216 SER H H 7.68 0.005 1 1233 218 216 SER C C 173.6 0.05 1 1234 218 216 SER CA C 59.701 0.1 1 1235 218 216 SER CB C 65.13 0.3 1 1236 218 216 SER N N 114.532 0.05 1 1237 219 217 THR H H 7.735 0.005 1 1238 219 217 THR CA C 59.476 0.1 1 1239 219 217 THR CB C 73.26 0.3 1 1240 219 217 THR N N 114.329 0.05 1 1241 223 221 PRO C C 178.448 0.05 1 1242 223 221 PRO CA C 62.221 0.1 1 1243 224 222 ILE H H 8.645 0.005 1 1244 224 222 ILE HD1 H 0.684 0.005 1 1245 224 222 ILE C C 174.407 0.05 1 1246 224 222 ILE CA C 60.413 0.1 1 1247 224 222 ILE CB C 39.67 0.3 1 1248 224 222 ILE CD1 C 13.857 0.08 1 1249 224 222 ILE N N 128.214 0.05 1 1250 225 223 LYS H H 8.967 0.005 1 1251 225 223 LYS C C 175.539 0.05 1 1252 225 223 LYS CA C 54.085 0.1 1 1253 225 223 LYS CB C 34.1 0.3 1 1254 225 223 LYS N N 126.4 0.05 1 1255 226 224 ILE H H 8.58 0.005 1 1256 226 224 ILE HD1 H 0.74 0.005 1 1257 226 224 ILE C C 174.657 0.05 1 1258 226 224 ILE CA C 60.41 0.1 1 1259 226 224 ILE CB C 40.47 0.3 1 1260 226 224 ILE CD1 C 14.406 0.08 1 1261 226 224 ILE N N 121.886 0.05 1 1262 227 225 ASN H H 9.096 0.005 1 1263 227 225 ASN C C 174.89 0.05 1 1264 227 225 ASN CA C 51.753 0.1 1 1265 227 225 ASN N N 124.66 0.05 1 1266 228 226 LEU H H 8.847 0.005 1 1267 228 226 LEU HD1 H 0.166 0.005 1 1268 228 226 LEU HD2 H 0.767 0.005 1 1269 228 226 LEU C C 176.491 0.05 1 1270 228 226 LEU CA C 54.803 0.1 1 1271 228 226 LEU CD1 C 21.151 0.08 1 1272 228 226 LEU CD2 C 26.075 0.08 1 1273 228 226 LEU N N 126.001 0.05 1 1274 229 227 ILE H H 8.293 0.005 1 1275 229 227 ILE HD1 H 0.65 0.005 1 1276 229 227 ILE C C 174.23 0.05 1 1277 229 227 ILE CA C 61.6 0.1 1 1278 229 227 ILE CD1 C 11.304 0.08 1 1279 229 227 ILE N N 127.3 0.05 1 1280 230 228 ALA H H 7.03 0.005 1 1281 230 228 ALA N N 119.761 0.05 1 1282 232 230 PRO C C 172.696 0.05 1 1283 233 231 ARG H H 9.166 0.005 1 1284 233 231 ARG C C 174.117 0.05 1 1285 233 231 ARG CA C 56.25 0.1 1 1286 233 231 ARG N N 125.9 0.05 1 1287 234 232 TYR H H 9.313 0.005 1 1288 234 232 TYR HB2 H 2.549 0.005 2 1289 234 232 TYR HD1 H 6.866 0.005 3 1290 234 232 TYR HE1 H 6.704 0.005 3 1291 234 232 TYR C C 174.514 0.05 1 1292 234 232 TYR CA C 56.68 0.1 1 1293 234 232 TYR N N 123.9 0.05 1 1294 235 233 VAL H H 9.083 0.005 1 1295 235 233 VAL HG1 H 0.92 0.005 1 1296 235 233 VAL HG2 H 0.93 0.005 1 1297 235 233 VAL C C 175.073 0.05 1 1298 235 233 VAL CA C 60.211 0.1 1 1299 235 233 VAL CG1 C 20.787 0.08 1 1300 235 233 VAL CG2 C 22.063 0.08 1 1301 235 233 VAL N N 120.573 0.05 1 1302 236 234 MET H H 9.715 0.005 1 1303 236 234 MET C C 174.903 0.05 1 1304 236 234 MET CA C 53.368 0.1 1 1305 236 234 MET N N 129.673 0.05 1 1306 237 235 THR H H 9.285 0.005 1 1307 237 235 THR C C 174.181 0.05 1 1308 237 235 THR CA C 58.772 0.1 1 1309 237 235 THR N N 113.178 0.05 1 1310 238 236 THR H H 8.51 0.005 1 1311 238 236 THR C C 172.112 0.05 1 1312 238 236 THR CA C 61.129 0.1 1 1313 238 236 THR CB C 69.92 0.3 1 1314 238 236 THR N N 112.846 0.05 1 1315 239 237 THR H H 7.713 0.005 1 1316 239 237 THR C C 173.358 0.05 1 1317 239 237 THR CA C 60.191 0.1 1 1318 239 237 THR CB C 70.66 0.3 1 1319 239 237 THR N N 119.309 0.05 1 1320 240 238 THR H H 8.828 0.005 1 1321 240 238 THR C C 171.655 0.05 1 1322 240 238 THR CA C 59.241 0.1 1 1323 240 238 THR CB C 69.1 0.3 1 1324 240 238 THR N N 117.518 0.05 1 1325 241 239 LEU H H 8.405 0.005 1 1326 241 239 LEU HG H 1.667 0.005 1 1327 241 239 LEU HD1 H 0.9 0.005 1 1328 241 239 LEU HD2 H 0.787 0.005 1 1329 241 239 LEU C C 177.586 0.05 1 1330 241 239 LEU CA C 55.737 0.1 1 1331 241 239 LEU CD1 C 24.981 0.08 1 1332 241 239 LEU CD2 C 22.975 0.08 1 1333 241 239 LEU N N 124.735 0.05 1 1334 242 240 GLU H H 8.501 0.005 1 1335 242 240 GLU CA C 54.319 0.1 1 1336 242 240 GLU N N 121.903 0.05 1 1337 243 241 ARG C C 176.913 0.05 1 1338 243 241 ARG CA C 60.173 0.1 1 1339 244 242 THR H H 8.645 0.005 1 1340 244 242 THR C C 177.379 0.05 1 1341 244 242 THR CA C 66.044 0.1 1 1342 244 242 THR CB C 68.29 0.3 1 1343 244 242 THR N N 112.513 0.05 1 1344 245 243 GLU H H 7.757 0.005 1 1345 245 243 GLU C C 178.928 0.05 1 1346 245 243 GLU CA C 58.532 0.1 1 1347 245 243 GLU CB C 28.51 0.3 1 1348 245 243 GLU N N 122.7 0.05 1 1349 246 244 GLY H H 8.124 0.005 1 1350 246 244 GLY C C 174.849 0.05 1 1351 246 244 GLY CA C 47.285 0.1 1 1352 246 244 GLY N N 107.598 0.05 1 1353 247 245 LEU H H 8.077 0.005 1 1354 247 245 LEU HD1 H 0.86 0.005 1 1355 247 245 LEU HD2 H 0.72 0.005 1 1356 247 245 LEU C C 179.558 0.05 1 1357 247 245 LEU CA C 58.301 0.1 1 1358 247 245 LEU CB C 41.27 0.3 1 1359 247 245 LEU CD1 C 25.89 0.08 1 1360 247 245 LEU CD2 C 23.69 0.08 1 1361 247 245 LEU N N 121.275 0.05 1 1362 248 246 SER H H 7.644 0.005 1 1363 248 246 SER C C 177.535 0.05 1 1364 248 246 SER CA C 61.104 0.1 1 1365 248 246 SER CB C 62.75 0.3 1 1366 248 246 SER N N 113.827 0.05 1 1367 249 247 VAL H H 8.522 0.005 1 1368 249 247 VAL HB H 2.18 0.005 1 1369 249 247 VAL HG1 H 1.06 0.005 1 1370 249 247 VAL HG2 H 1.16 0.005 1 1371 249 247 VAL C C 178.169 0.05 1 1372 249 247 VAL CA C 66.038 0.1 1 1373 249 247 VAL CB C 31.75 0.3 1 1374 249 247 VAL CG1 C 21.151 0.08 1 1375 249 247 VAL CG2 C 23.704 0.08 1 1376 249 247 VAL N N 122.7 0.05 1 1377 250 248 LEU H H 7.864 0.005 1 1378 250 248 LEU HG H 1.78 0.005 1 1379 250 248 LEU HD1 H 0.742 0.005 1 1380 250 248 LEU HD2 H 0.694 0.005 1 1381 250 248 LEU C C 179.393 0.05 1 1382 250 248 LEU CA C 57.839 0.1 1 1383 250 248 LEU CD1 C 26.075 0.08 1 1384 250 248 LEU CD2 C 23.704 0.08 1 1385 250 248 LEU N N 119.078 0.05 1 1386 251 249 SER H H 7.952 0.005 1 1387 251 249 SER C C 177.457 0.05 1 1388 251 249 SER CA C 62.747 0.1 1 1389 251 249 SER CB C 62.7 0.3 1 1390 251 249 SER N N 115.129 0.05 1 1391 252 250 GLN H H 8.44 0.005 1 1392 252 250 GLN C C 178.042 0.05 1 1393 252 250 GLN CA C 58.769 0.1 1 1394 252 250 GLN CB C 28.52 0.3 1 1395 252 250 GLN N N 124.007 0.05 1 1396 253 251 ALA H H 8.465 0.005 1 1397 253 251 ALA C C 179.941 0.05 1 1398 253 251 ALA CA C 55.023 0.1 1 1399 253 251 ALA CB C 18.93 0.3 1 1400 253 251 ALA N N 122.384 0.05 1 1401 254 252 MET H H 8.46 0.005 1 1402 254 252 MET C C 176.499 0.05 1 1403 254 252 MET CA C 59.947 0.1 1 1404 254 252 MET CB C 34.1 0.3 1 1405 254 252 MET N N 116.08 0.05 1 1406 255 253 ALA H H 7.561 0.005 1 1407 255 253 ALA C C 180.664 0.05 1 1408 255 253 ALA CA C 54.788 0.1 1 1409 255 253 ALA N N 120.244 0.05 1 1410 256 254 VAL H H 7.793 0.005 1 1411 256 254 VAL HB H 2.1 0.005 1 1412 256 254 VAL HG1 H 0.787 0.005 1 1413 256 254 VAL HG2 H 0.977 0.005 1 1414 256 254 VAL C C 177.803 0.05 1 1415 256 254 VAL CA C 65.335 0.1 1 1416 256 254 VAL CB C 31.71 0.3 1 1417 256 254 VAL CG1 C 21.334 0.08 1 1418 256 254 VAL CG2 C 22.792 0.08 1 1419 256 254 VAL N N 119.285 0.05 1 1420 257 255 ILE H H 7.972 0.005 1 1421 257 255 ILE HD1 H 0.695 0.005 1 1422 257 255 ILE C C 177.073 0.05 1 1423 257 255 ILE CA C 65.335 0.1 1 1424 257 255 ILE CB C 38.043 0.3 1 1425 257 255 ILE CD1 C 14.404 0.08 1 1426 257 255 ILE N N 121.746 0.05 1 1427 258 256 LYS H H 7.722 0.005 1 1428 258 256 LYS C C 177.285 0.05 1 1429 258 256 LYS CA C 59.473 0.1 1 1430 258 256 LYS CB C 31.72 0.3 1 1431 258 256 LYS N N 119.138 0.05 1 1432 259 257 GLU H H 7.632 0.005 1 1433 259 257 GLU C C 179.777 0.05 1 1434 259 257 GLU CA C 58.773 0.1 1 1435 259 257 GLU CB C 29.3 0.3 1 1436 259 257 GLU N N 116.864 0.05 1 1437 260 258 LYS H H 8.03 0.005 1 1438 260 258 LYS C C 179.431 0.05 1 1439 260 258 LYS CA C 56.91 0.1 1 1440 260 258 LYS CB C 30.09 0.3 1 1441 260 258 LYS N N 117.537 0.05 1 1442 261 259 ILE H H 8.739 0.005 1 1443 261 259 ILE HD1 H 0.644 0.005 1 1444 261 259 ILE C C 178.554 0.05 1 1445 261 259 ILE CA C 59.707 0.1 1 1446 261 259 ILE CB C 37.23 0.3 1 1447 261 259 ILE CD1 C 13.675 0.08 1 1448 261 259 ILE N N 119.5 0.05 1 1449 262 260 GLU H H 8.464 0.005 1 1450 262 260 GLU C C 181.314 0.05 1 1451 262 260 GLU CA C 59.473 0.1 1 1452 262 260 GLU CB C 28.52 0.3 1 1453 262 260 GLU N N 123.603 0.05 1 1454 263 261 GLU H H 7.905 0.005 1 1455 263 261 GLU C C 177.972 0.05 1 1456 263 261 GLU CA C 58.773 0.1 1 1457 263 261 GLU CB C 29.29 0.3 1 1458 263 261 GLU N N 122.595 0.05 1 1459 264 262 LYS H H 6.942 0.005 1 1460 264 262 LYS C C 174.4 0.05 1 1461 264 262 LYS CA C 54.085 0.1 1 1462 264 262 LYS CB C 31.7 0.3 1 1463 264 262 LYS N N 116.873 0.05 1 1464 265 263 ARG H H 7.832 0.005 1 1465 265 263 ARG C C 176.626 0.05 1 1466 265 263 ARG CA C 56.898 0.1 1 1467 265 263 ARG CB C 26.13 0.3 1 1468 265 263 ARG N N 112.3 0.05 1 1469 266 264 GLY H H 8.237 0.005 1 1470 266 264 GLY C C 172.058 0.05 1 1471 266 264 GLY CA C 44.004 0.1 1 1472 266 264 GLY N N 106.153 0.05 1 1473 267 265 VAL H H 8.802 0.005 1 1474 267 265 VAL HB H 1.833 0.005 1 1475 267 265 VAL HG1 H 0.85 0.005 1 1476 267 265 VAL HG2 H 0.91 0.005 1 1477 267 265 VAL C C 173.233 0.05 1 1478 267 265 VAL CA C 60.885 0.1 1 1479 267 265 VAL CB C 35.65 0.3 1 1480 267 265 VAL CG1 C 21.151 0.08 1 1481 267 265 VAL CG2 C 20.604 0.08 1 1482 267 265 VAL N N 117.789 0.05 1 1483 268 266 PHE H H 8.704 0.005 1 1484 268 266 PHE HB2 H 2.84 0.005 2 1485 268 266 PHE HB3 H 2.963 0.005 2 1486 268 266 PHE HD1 H 7.044 0.005 3 1487 268 266 PHE HE1 H 7.126 0.005 3 1488 268 266 PHE HZ H 7 0.005 1 1489 268 266 PHE C C 174.418 0.05 1 1490 268 266 PHE CA C 55.957 0.1 1 1491 268 266 PHE CB C 43.66 0.3 1 1492 268 266 PHE N N 126.155 0.05 1 1493 269 267 ASN H H 8.369 0.005 1 1494 269 267 ASN C C 172.799 0.05 1 1495 269 267 ASN CA C 52.208 0.1 1 1496 269 267 ASN CB C 42.825 0.3 1 1497 269 267 ASN N N 123.822 0.05 1 1498 270 268 VAL H H 8.581 0.005 1 1499 270 268 VAL HB H 2.028 0.005 1 1500 270 268 VAL HG1 H 0.831 0.005 1 1501 270 268 VAL HG2 H 1.053 0.005 1 1502 270 268 VAL C C 175.676 0.05 1 1503 270 268 VAL CA C 62.52 0.1 1 1504 270 268 VAL CB C 32.48 0.3 1 1505 270 268 VAL CG1 C 20.969 0.08 1 1506 270 268 VAL CG2 C 22.792 0.08 1 1507 270 268 VAL N N 122.553 0.05 1 1508 271 269 GLN H H 8.335 0.005 1 1509 271 269 GLN C C 176.042 0.05 1 1510 271 269 GLN CA C 55.949 0.1 1 1511 271 269 GLN CB C 29.29 0.3 1 1512 271 269 GLN N N 127.1 0.05 1 1513 272 270 MET H H 8.29 0.005 1 1514 272 270 MET C C 174.411 0.05 1 1515 272 270 MET CA C 56.16 0.1 1 1516 272 270 MET CB C 36.47 0.3 1 1517 272 270 MET N N 121.23 0.05 1 1518 273 271 GLU H H 8.64 0.005 1 1519 273 271 GLU CA C 55.481 0.1 1 1520 273 271 GLU CB C 27.74 0.3 1 1521 273 271 GLU N N 127.4 0.05 1 1522 274 272 PRO C C 176.126 0.05 1 1523 274 272 PRO CA C 62.986 0.1 1 1524 274 272 PRO CB C 31.69 0.3 1 1525 275 273 LYS H H 8.906 0.005 1 1526 275 273 LYS C C 174.884 0.05 1 1527 275 273 LYS CA C 54.553 0.1 1 1528 275 273 LYS CB C 34.91 0.3 1 1529 275 273 LYS N N 122.392 0.05 1 1530 276 274 VAL H H 8.553 0.005 1 1531 276 274 VAL HB H 1.95 0.005 1 1532 276 274 VAL HG1 H 0.95 0.005 1 1533 276 274 VAL HG2 H 0.94 0.005 1 1534 276 274 VAL C C 176.802 0.05 1 1535 276 274 VAL CA C 62.758 0.1 1 1536 276 274 VAL CB C 31.68 0.3 1 1537 276 274 VAL CG1 C 21.334 0.08 1 1538 276 274 VAL CG2 C 22.245 0.08 1 1539 276 274 VAL N N 123.446 0.05 1 1540 277 275 VAL H H 8.766 0.005 1 1541 277 275 VAL HB H 2.142 0.005 1 1542 277 275 VAL HG1 H 0.9 0.005 1 1543 277 275 VAL HG2 H 0.769 0.005 1 1544 277 275 VAL C C 175.987 0.05 1 1545 277 275 VAL CA C 59.946 0.1 1 1546 277 275 VAL CB C 34.08 0.3 1 1547 277 275 VAL CG1 C 22.428 0.08 1 1548 277 275 VAL CG2 C 19.875 0.08 1 1549 277 275 VAL N N 123.781 0.05 1 1550 278 276 THR H H 8.71 0.005 1 1551 278 276 THR C C 175.238 0.05 1 1552 278 276 THR CA C 60.41 0.1 1 1553 278 276 THR CB C 71.47 0.3 1 1554 278 276 THR N N 116 0.05 1 1555 279 277 ASP H H 8.669 0.005 1 1556 279 277 ASP C C 177.822 0.05 1 1557 279 277 ASP CA C 55.968 0.1 1 1558 279 277 ASP N N 121.614 0.05 1 1559 280 278 THR H H 8.115 0.005 1 1560 280 278 THR C C 175.691 0.05 1 1561 280 278 THR CA C 63.695 0.1 1 1562 280 278 THR N N 114.58 0.05 1 1563 281 279 ASP H H 7.966 0.005 1 1564 281 279 ASP C C 178.077 0.05 1 1565 281 279 ASP CA C 55.96 0.1 1 1566 281 279 ASP CB C 41.24 0.3 1 1567 281 279 ASP N N 122.717 0.05 1 1568 282 280 GLU H H 8.343 0.005 1 1569 282 280 GLU C C 178.612 0.05 1 1570 282 280 GLU CA C 59.239 0.1 1 1571 282 280 GLU CB C 29.3 0.3 1 1572 282 280 GLU N N 120.242 0.05 1 1573 283 281 THR H H 8.274 0.005 1 1574 283 281 THR C C 176.208 0.05 1 1575 283 281 THR CA C 64.866 0.1 1 1576 283 281 THR CB C 69.1 0.3 1 1577 283 281 THR N N 117.2 0.05 1 1578 284 282 GLU H H 8.04 0.005 1 1579 284 282 GLU C C 178.594 0.05 1 1580 284 282 GLU CA C 58.304 0.1 1 1581 284 282 GLU CB C 29.3 0.3 1 1582 284 282 GLU N N 122.904 0.05 1 1583 285 283 LEU H H 8.104 0.005 1 1584 285 283 LEU HG H 1.66 0.005 1 1585 285 283 LEU HD1 H 0.82 0.005 1 1586 285 283 LEU HD2 H 0.82 0.005 1 1587 285 283 LEU C C 178.788 0.05 1 1588 285 283 LEU CA C 57.123 0.1 1 1589 285 283 LEU CB C 41.24 0.3 1 1590 285 283 LEU CD1 C 24.25 0.08 1 1591 285 283 LEU CD2 C 23.704 0.08 1 1592 285 283 LEU N N 121.073 0.05 1 1593 286 284 ALA H H 7.948 0.005 1 1594 286 284 ALA C C 180.089 0.05 1 1595 286 284 ALA CA C 54.316 0.1 1 1596 286 284 ALA CB C 18.15 0.3 1 1597 286 284 ALA N N 121.5 0.05 1 1598 287 285 ARG H H 7.932 0.005 1 1599 287 285 ARG C C 178.789 0.05 1 1600 287 285 ARG CA C 58.07 0.1 1 1601 287 285 ARG CB C 30.12 0.3 1 1602 287 285 ARG N N 118.874 0.05 1 1603 288 286 GLN H H 8.108 0.005 1 1604 288 286 GLN C C 178.066 0.05 1 1605 288 286 GLN CA C 57.603 0.1 1 1606 288 286 GLN CB C 28.49 0.3 1 1607 288 286 GLN N N 119.592 0.05 1 1608 289 287 MET H H 8.17 0.005 1 1609 289 287 MET C C 177.833 0.05 1 1610 289 287 MET CA C 56.9 0.1 1 1611 289 287 MET CB C 31.72 0.3 1 1612 289 287 MET N N 118.905 0.05 1 1613 290 288 GLU H H 8.022 0.005 1 1614 290 288 GLU C C 177.859 0.05 1 1615 290 288 GLU CA C 57.841 0.1 1 1616 290 288 GLU N N 120.602 0.05 1 1617 291 289 ARG H H 7.907 0.005 1 1618 291 289 ARG C C 177.471 0.05 1 1619 291 289 ARG CA C 57.592 0.1 1 1620 291 289 ARG CB C 30.11 0.3 1 1621 291 289 ARG N N 119.903 0.05 1 1622 292 290 LEU H H 7.944 0.005 1 1623 292 290 LEU HG H 1.67 0.005 1 1624 292 290 LEU HD1 H 0.894 0.005 1 1625 292 290 LEU HD2 H 0.844 0.005 1 1626 292 290 LEU C C 178.364 0.05 1 1627 292 290 LEU CA C 56.194 0.1 1 1628 292 290 LEU CB C 42.05 0.3 1 1629 292 290 LEU CD1 C 25.163 0.08 1 1630 292 290 LEU CD2 C 23.522 0.08 1 1631 292 290 LEU N N 121.147 0.05 1 1632 293 291 GLU H H 8.102 0.005 1 1633 293 291 GLU C C 177.641 0.05 1 1634 293 291 GLU CA C 57.361 0.1 1 1635 293 291 GLU CB C 29.35 0.3 1 1636 293 291 GLU N N 120.153 0.05 1 1637 294 292 ARG H H 8.02 0.005 1 1638 294 292 ARG C C 177.29 0.05 1 1639 294 292 ARG CA C 56.891 0.1 1 1640 294 292 ARG N N 120.393 0.05 1 1641 295 293 GLU H H 8.313 0.005 1 1642 295 293 GLU C C 176.989 0.05 1 1643 295 293 GLU CA C 57.129 0.1 1 1644 295 293 GLU N N 120.788 0.05 1 1645 296 294 ASN H H 8.28 0.005 1 1646 296 294 ASN C C 175.128 0.05 1 1647 296 294 ASN CA C 53.382 0.1 1 1648 296 294 ASN CB C 38.85 0.3 1 1649 296 294 ASN N N 118.833 0.05 1 1650 297 295 ALA H H 8.066 0.005 1 1651 297 295 ALA C C 177.874 0.05 1 1652 297 295 ALA CA C 52.673 0.1 1 1653 297 295 ALA CB C 18.97 0.3 1 1654 297 295 ALA N N 123.857 0.05 1 1655 298 296 GLU H H 8.257 0.005 1 1656 298 296 GLU C C 176.763 0.05 1 1657 298 296 GLU CA C 56.424 0.1 1 1658 298 296 GLU CB C 30.1 0.3 1 1659 298 296 GLU N N 119.838 0.05 1 1660 299 297 VAL H H 8.04 0.005 1 1661 299 297 VAL HB H 2.064 0.005 1 1662 299 297 VAL HG1 H 0.88 0.005 1 1663 299 297 VAL HG2 H 0.893 0.005 1 1664 299 297 VAL C C 176.006 0.05 1 1665 299 297 VAL CA C 61.823 0.1 1 1666 299 297 VAL CB C 32.53 0.3 1 1667 299 297 VAL CG1 C 21.151 0.08 1 1668 299 297 VAL CG2 C 20.422 0.08 1 1669 299 297 VAL N N 120.429 0.05 1 1670 300 298 ASP H H 8.366 0.005 1 1671 300 298 ASP C C 176.822 0.05 1 1672 300 298 ASP CA C 54.318 0.1 1 1673 300 298 ASP CB C 41.27 0.3 1 1674 300 298 ASP N N 123.786 0.05 1 1675 301 299 GLY H H 8.285 0.005 1 1676 301 299 GLY C C 174.07 0.05 1 1677 301 299 GLY CA C 45.41 0.1 1 1678 301 299 GLY N N 109.785 0.05 1 1679 302 300 ASP H H 8.277 0.005 1 1680 302 300 ASP C C 176.526 0.05 1 1681 302 300 ASP CA C 54.089 0.1 1 1682 302 300 ASP CB C 41.23 0.3 1 1683 302 300 ASP N N 120.627 0.05 1 1684 303 301 LEU H H 8.108 0.005 1 1685 303 301 LEU HG H 1.575 0.005 1 1686 303 301 LEU HD1 H 0.87 0.005 1 1687 303 301 LEU HD2 H 0.797 0.005 1 1688 303 301 LEU C C 177.684 0.05 1 1689 303 301 LEU CA C 55.265 0.1 1 1690 303 301 LEU CB C 42.06 0.3 1 1691 303 301 LEU CD1 C 24.981 0.08 1 1692 303 301 LEU CD2 C 23.34 0.08 1 1693 303 301 LEU N N 122.093 0.05 1 1694 304 302 GLU H H 8.245 0.005 1 1695 304 302 GLU C C 176.428 0.05 1 1696 304 302 GLU CA C 56.428 0.1 1 1697 304 302 GLU CB C 30.07 0.3 1 1698 304 302 GLU N N 120.274 0.05 1 1699 305 303 HIS H H 8.014 0.005 1 1700 305 303 HIS CA C 56.671 0.1 1 1701 305 303 HIS N N 120.17 0.05 1 stop_ save_