data_17878 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for La(4-325) ; _BMRB_accession_number 17878 _BMRB_flat_file_name bmr17878.str _Entry_type original _Submission_date 2011-08-22 _Accession_date 2011-08-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone assignment of the human La protein fragment spanning the residues 4-325' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Martino Luigi . . 2 Kelly Geoff . . 3 Curry Stephen . . 4 Conte Maria R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 260 "13C chemical shifts" 687 "15N chemical shifts" 260 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-02-14 update BMRB 'update entry citation' 2011-12-09 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15726 'assignment of the N-terminal region of human La protein' 15727 'assignment of the N-terminal region of human La protein in complex with RNA' 5235 'Full assignment of the RRM2 of La protein' 5719 'Full assignment of the RRM1 of La protein' 6044 'Full assignment of La motif of La protein' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Analysis of the interaction with the hepatitis C virus mRNA reveals an alternative mode of RNA recognition by the human La protein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22009680 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Martino Luigi . . 2 Pennell Simon . . 3 Kelly Geoff . . 4 Bui Tam T.T. . 5 Kotik-Kogan Olga . . 6 Smerdon Stephen J. . 7 Drake Alex F. . 8 Curry Stephen . . 9 Conte Maria R. . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 40 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1381 _Page_last 1394 _Year 2012 _Details . loop_ _Keyword ITC 'La protein' NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name La(4-325) _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label La(4-325) $human_La_protein stop_ _System_molecular_weight 37441.7 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'RNA binding' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_human_La_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common human_La_protein _Molecular_mass 37441.7 _Mol_thiol_state 'all free' loop_ _Biological_function 'RNA binding protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 322 _Mol_residue_sequence ; NGDNEKMAALEAKICHQIEY YFGDFNLPRDKFLKEQIKLD EGWVPLEIMIKFNRLNRLTT DFNVIVEALSKSKAELMEIS EDKTKIRRSPSKPLPEVTDE YKNDVKNRSVYIKGFPTDAT LDDIKEWLEDKGQVLNIQMR RTLHKAFKGSIFVVFDSIES AKKFVETPGQKYKETDLLIL FKDDYFAKKNEERKQNKVEA KLRAKQEQEAKQKLEEDAEM KSLEEKIGCLLKFSGDLDDQ TCREDLHILFSNHGEIKWID FVRGAKEGIILFKEKAKEAL GKAKDANNGNLQLRNKEVTW EVLEGEVEKEALKKIIEDQQ ES ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 4 ASN 2 5 GLY 3 6 ASP 4 7 ASN 5 8 GLU 6 9 LYS 7 10 MET 8 11 ALA 9 12 ALA 10 13 LEU 11 14 GLU 12 15 ALA 13 16 LYS 14 17 ILE 15 18 CYS 16 19 HIS 17 20 GLN 18 21 ILE 19 22 GLU 20 23 TYR 21 24 TYR 22 25 PHE 23 26 GLY 24 27 ASP 25 28 PHE 26 29 ASN 27 30 LEU 28 31 PRO 29 32 ARG 30 33 ASP 31 34 LYS 32 35 PHE 33 36 LEU 34 37 LYS 35 38 GLU 36 39 GLN 37 40 ILE 38 41 LYS 39 42 LEU 40 43 ASP 41 44 GLU 42 45 GLY 43 46 TRP 44 47 VAL 45 48 PRO 46 49 LEU 47 50 GLU 48 51 ILE 49 52 MET 50 53 ILE 51 54 LYS 52 55 PHE 53 56 ASN 54 57 ARG 55 58 LEU 56 59 ASN 57 60 ARG 58 61 LEU 59 62 THR 60 63 THR 61 64 ASP 62 65 PHE 63 66 ASN 64 67 VAL 65 68 ILE 66 69 VAL 67 70 GLU 68 71 ALA 69 72 LEU 70 73 SER 71 74 LYS 72 75 SER 73 76 LYS 74 77 ALA 75 78 GLU 76 79 LEU 77 80 MET 78 81 GLU 79 82 ILE 80 83 SER 81 84 GLU 82 85 ASP 83 86 LYS 84 87 THR 85 88 LYS 86 89 ILE 87 90 ARG 88 91 ARG 89 92 SER 90 93 PRO 91 94 SER 92 95 LYS 93 96 PRO 94 97 LEU 95 98 PRO 96 99 GLU 97 100 VAL 98 101 THR 99 102 ASP 100 103 GLU 101 104 TYR 102 105 LYS 103 106 ASN 104 107 ASP 105 108 VAL 106 109 LYS 107 110 ASN 108 111 ARG 109 112 SER 110 113 VAL 111 114 TYR 112 115 ILE 113 116 LYS 114 117 GLY 115 118 PHE 116 119 PRO 117 120 THR 118 121 ASP 119 122 ALA 120 123 THR 121 124 LEU 122 125 ASP 123 126 ASP 124 127 ILE 125 128 LYS 126 129 GLU 127 130 TRP 128 131 LEU 129 132 GLU 130 133 ASP 131 134 LYS 132 135 GLY 133 136 GLN 134 137 VAL 135 138 LEU 136 139 ASN 137 140 ILE 138 141 GLN 139 142 MET 140 143 ARG 141 144 ARG 142 145 THR 143 146 LEU 144 147 HIS 145 148 LYS 146 149 ALA 147 150 PHE 148 151 LYS 149 152 GLY 150 153 SER 151 154 ILE 152 155 PHE 153 156 VAL 154 157 VAL 155 158 PHE 156 159 ASP 157 160 SER 158 161 ILE 159 162 GLU 160 163 SER 161 164 ALA 162 165 LYS 163 166 LYS 164 167 PHE 165 168 VAL 166 169 GLU 167 170 THR 168 171 PRO 169 172 GLY 170 173 GLN 171 174 LYS 172 175 TYR 173 176 LYS 174 177 GLU 175 178 THR 176 179 ASP 177 180 LEU 178 181 LEU 179 182 ILE 180 183 LEU 181 184 PHE 182 185 LYS 183 186 ASP 184 187 ASP 185 188 TYR 186 189 PHE 187 190 ALA 188 191 LYS 189 192 LYS 190 193 ASN 191 194 GLU 192 195 GLU 193 196 ARG 194 197 LYS 195 198 GLN 196 199 ASN 197 200 LYS 198 201 VAL 199 202 GLU 200 203 ALA 201 204 LYS 202 205 LEU 203 206 ARG 204 207 ALA 205 208 LYS 206 209 GLN 207 210 GLU 208 211 GLN 209 212 GLU 210 213 ALA 211 214 LYS 212 215 GLN 213 216 LYS 214 217 LEU 215 218 GLU 216 219 GLU 217 220 ASP 218 221 ALA 219 222 GLU 220 223 MET 221 224 LYS 222 225 SER 223 226 LEU 224 227 GLU 225 228 GLU 226 229 LYS 227 230 ILE 228 231 GLY 229 232 CYS 230 233 LEU 231 234 LEU 232 235 LYS 233 236 PHE 234 237 SER 235 238 GLY 236 239 ASP 237 240 LEU 238 241 ASP 239 242 ASP 240 243 GLN 241 244 THR 242 245 CYS 243 246 ARG 244 247 GLU 245 248 ASP 246 249 LEU 247 250 HIS 248 251 ILE 249 252 LEU 250 253 PHE 251 254 SER 252 255 ASN 253 256 HIS 254 257 GLY 255 258 GLU 256 259 ILE 257 260 LYS 258 261 TRP 259 262 ILE 260 263 ASP 261 264 PHE 262 265 VAL 263 266 ARG 264 267 GLY 265 268 ALA 266 269 LYS 267 270 GLU 268 271 GLY 269 272 ILE 270 273 ILE 271 274 LEU 272 275 PHE 273 276 LYS 274 277 GLU 275 278 LYS 276 279 ALA 277 280 LYS 278 281 GLU 279 282 ALA 280 283 LEU 281 284 GLY 282 285 LYS 283 286 ALA 284 287 LYS 285 288 ASP 286 289 ALA 287 290 ASN 288 291 ASN 289 292 GLY 290 293 ASN 291 294 LEU 292 295 GLN 293 296 LEU 294 297 ARG 295 298 ASN 296 299 LYS 297 300 GLU 298 301 VAL 299 302 THR 300 303 TRP 301 304 GLU 302 305 VAL 303 306 LEU 304 307 GLU 305 308 GLY 306 309 GLU 307 310 VAL 308 311 GLU 309 312 LYS 310 313 GLU 311 314 ALA 312 315 LEU 313 316 LYS 314 317 LYS 315 318 ILE 316 319 ILE 317 320 GLU 318 321 ASP 319 322 GLN 320 323 GLN 321 324 GLU 322 325 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15726 La_protein 59.32 197 100.00 100.00 1.05e-134 BMRB 15727 La_protein 59.32 197 100.00 100.00 1.05e-134 PDB 1YTY "Structural Basis For Recognition Of Uuuoh 3'-Terminii Of Nascent Rna Pol Iii Transcripts By La Autoantigen" 59.32 194 97.91 97.91 3.94e-130 PDB 1ZH5 "Structural Basis For Recognition Of Uuuoh 3'-Terminii Of Nascent Rna Pol Iii Transcripts By La Autoantigen" 59.32 195 97.91 97.91 4.31e-130 PDB 2VOD "Crystal Structure Of N-Terminal Domains Of Human La Protein Complexed With Rna Oligomer Auauuuu" 59.32 193 100.00 100.00 1.80e-134 PDB 2VON "Crystal Structure Of N-Terminal Domains Of Human La Protein Complexed With Rna Oligomer Auaauuu" 59.32 193 100.00 100.00 1.80e-134 PDB 2VOO "Crystal Structure Of N-Terminal Domains Of Human La Protein Complexed With Rna Oligomer Uuuuuuuu" 59.32 193 100.00 100.00 1.80e-134 PDB 2VOP "Crystal Structure Of N-Terminal Domains Of Human La Protein Complexed With Rna Oligomer Auuuu" 59.32 193 100.00 100.00 1.80e-134 DBJ BAE87871 "unnamed protein product [Macaca fascicularis]" 100.00 405 99.69 99.69 0.00e+00 DBJ BAE87890 "unnamed protein product [Macaca fascicularis]" 100.00 405 99.69 99.69 0.00e+00 DBJ BAG70042 "autoantigen La [Homo sapiens]" 100.00 408 100.00 100.00 0.00e+00 DBJ BAG70165 "autoantigen La [Homo sapiens]" 100.00 408 99.69 99.69 0.00e+00 DBJ BAI45822 "Sjogren syndrome antigen B [synthetic construct]" 100.00 408 100.00 100.00 0.00e+00 EMBL CAA31985 "unnamed protein product [Homo sapiens]" 100.00 408 100.00 100.00 0.00e+00 EMBL CAA32815 "La 4.1 protein [Homo sapiens]" 66.15 296 98.12 98.59 2.71e-143 GB AAA36577 "ribonucleoprotein La, partial [Homo sapiens]" 84.16 355 99.63 99.63 0.00e+00 GB AAA51885 "La protein [Homo sapiens]" 100.00 408 100.00 100.00 0.00e+00 GB AAH01289 "Sjogren syndrome antigen B (autoantigen La) [Homo sapiens]" 100.00 408 100.00 100.00 0.00e+00 GB AAH20818 "Sjogren syndrome antigen B (autoantigen La) [Homo sapiens]" 100.00 408 100.00 100.00 0.00e+00 GB AAP88864 "Sjogren syndrome antigen B (autoantigen La) [Homo sapiens]" 100.00 408 100.00 100.00 0.00e+00 REF NP_001267347 "lupus La protein [Pan troglodytes]" 100.00 408 99.69 99.69 0.00e+00 REF NP_001270975 "Sjogren syndrome antigen B (autoantigen La) [Macaca fascicularis]" 100.00 405 99.69 99.69 0.00e+00 REF NP_001281074 "lupus La protein [Homo sapiens]" 100.00 408 100.00 100.00 0.00e+00 REF NP_001296114 "Sjogren syndrome antigen B (autoantigen La) [Equus caballus]" 100.00 405 97.20 98.76 0.00e+00 REF NP_003133 "lupus La protein [Homo sapiens]" 100.00 408 100.00 100.00 0.00e+00 SP P05455 "RecName: Full=Lupus La protein; AltName: Full=La autoantigen; AltName: Full=La ribonucleoprotein; AltName: Full=Sjoegren syndro" 100.00 408 100.00 100.00 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $human_La_protein Human 9606 Eukaryota Metazoa Homo sapiens 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 $human_La_protein 'recombinant technology' . Escherichia coli 'Rosetta II' pETM-11 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_La(4-325) _Saveframe_category sample _Sample_type solution _Details '20 mM Tris, 100 mM KCl, 1 mM DTT pH 7.25' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $human_La_protein 0.4 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' Tris 20 mM 'natural abundance' KCl 100 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY-HSQC' _Sample_label $sample_La(4-325) save_ save_3D_TROSY-HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCA' _Sample_label $sample_La(4-325) save_ save_3D_TROSY-HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCACB' _Sample_label $sample_La(4-325) save_ save_3D_TROSY-HN(COCA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(COCA)CB' _Sample_label $sample_La(4-325) save_ save_3D_TROSY-HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCO' _Sample_label $sample_La(4-325) 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' 100 . mM pH 7.25 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N TROSY-HSQC' '3D TROSY-HNCA' '3D TROSY-HNCACB' '3D TROSY-HN(COCA)CB' '3D TROSY-HNCO' stop_ loop_ _Sample_label $sample_La(4-325) stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name La(4-325) _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 6 3 ASP C C 176.840 0.03 1 2 7 4 ASN H H 8.406 0.03 1 3 7 4 ASN C C 176.516 0.03 1 4 7 4 ASN CA C 55.168 0.03 1 5 7 4 ASN CB C 38.761 0.03 1 6 7 4 ASN N N 119.753 0.03 1 7 8 5 GLU H H 8.341 0.03 1 8 8 5 GLU C C 179.203 0.03 1 9 8 5 GLU CA C 58.954 0.03 1 10 8 5 GLU CB C 29.690 0.03 1 11 8 5 GLU N N 121.862 0.03 1 12 9 6 LYS H H 8.034 0.03 1 13 9 6 LYS C C 178.925 0.03 1 14 9 6 LYS CA C 58.481 0.03 1 15 9 6 LYS CB C 32.214 0.03 1 16 9 6 LYS N N 120.924 0.03 1 17 10 7 MET H H 8.074 0.03 1 18 10 7 MET C C 177.441 0.03 1 19 10 7 MET CA C 57.140 0.03 1 20 10 7 MET CB C 31.347 0.03 1 21 10 7 MET N N 120.221 0.03 1 22 11 8 ALA H H 8.160 0.001 1 23 11 8 ALA C C 175.219 0.03 1 24 11 8 ALA CA C 54.931 0.03 1 25 11 8 ALA CB C 18.095 0.03 1 26 11 8 ALA N N 123.479 0.033 1 27 12 9 ALA H H 7.941 0.001 1 28 12 9 ALA C C 180.199 0.03 1 29 12 9 ALA CA C 55.010 0.03 1 30 12 9 ALA CB C 17.938 0.03 1 31 12 9 ALA N N 121.671 0.062 1 32 13 10 LEU H H 7.803 0.03 1 33 13 10 LEU C C 178.832 0.03 1 34 13 10 LEU CA C 58.481 0.03 1 35 13 10 LEU CB C 41.285 0.03 1 36 13 10 LEU N N 121.393 0.03 1 37 14 11 GLU H H 8.356 0.001 1 38 14 11 GLU C C 178.531 0.03 1 39 14 11 GLU CA C 60.531 0.03 1 40 14 11 GLU CB C 29.454 0.03 1 41 14 11 GLU N N 117.397 0.016 1 42 15 12 ALA H H 7.753 0.03 1 43 15 12 ALA C C 180.404 0.03 1 44 15 12 ALA CA C 55.404 0.03 1 45 15 12 ALA CB C 17.938 0.03 1 46 15 12 ALA N N 120.693 0.004 1 47 16 13 LYS H H 7.668 0.001 1 48 16 13 LYS C C 170.736 0.03 1 49 16 13 LYS CA C 60.216 0.03 1 50 16 13 LYS CB C 33.082 0.03 1 51 16 13 LYS N N 119.051 0.002 1 52 17 14 ILE H H 8.379 0.004 1 53 17 14 ILE C C 177.721 0.03 1 54 17 14 ILE CA C 66.289 0.03 1 55 17 14 ILE CB C 38.367 0.03 1 56 17 14 ILE N N 121.146 0.019 1 57 18 15 CYS H H 8.111 0.005 1 58 18 15 CYS C C 176.007 0.03 1 59 18 15 CYS CA C 64.870 0.03 1 60 18 15 CYS CB C 26.299 0.03 1 61 18 15 CYS N N 117.404 0.007 1 62 19 16 HIS H H 8.243 0.03 1 63 19 16 HIS C C 178.276 0.03 1 64 19 16 HIS CA C 59.506 0.03 1 65 19 16 HIS CB C 30.006 0.03 1 66 19 16 HIS N N 116.676 0.042 1 67 20 17 GLN H H 7.978 0.001 1 68 20 17 GLN C C 178.214 0.03 1 69 20 17 GLN CA C 58.244 0.03 1 70 20 17 GLN CB C 28.428 0.03 1 71 20 17 GLN N N 116.952 0.016 1 72 21 18 ILE H H 8.233 0.001 1 73 21 18 ILE C C 177.211 0.03 1 74 21 18 ILE CA C 66.842 0.03 1 75 21 18 ILE CB C 37.184 0.03 1 76 21 18 ILE N N 119.279 0.008 1 77 22 19 GLU H H 8.821 0.003 1 78 22 19 GLU C C 178.693 0.03 1 79 22 19 GLU CA C 59.348 0.03 1 80 22 19 GLU CB C 27.561 0.03 1 81 22 19 GLU N N 117.442 0.047 1 82 23 20 TYR H H 7.614 0.001 1 83 23 20 TYR C C 177.234 0.03 1 84 23 20 TYR CA C 61.715 0.03 1 85 23 20 TYR CB C 37.499 0.03 1 86 23 20 TYR N N 119.511 0.010 1 87 24 21 TYR H H 8.078 0.002 1 88 24 21 TYR C C 177.026 0.03 1 89 24 21 TYR CA C 61.162 0.03 1 90 24 21 TYR CB C 37.894 0.03 1 91 24 21 TYR N N 120.914 0.014 1 92 25 22 PHE H H 7.612 0.006 1 93 25 22 PHE C C 173.552 0.03 1 94 25 22 PHE CA C 59.112 0.03 1 95 25 22 PHE CB C 39.392 0.03 1 96 25 22 PHE N N 111.792 0.011 1 97 26 23 GLY H H 7.213 0.002 1 98 26 23 GLY C C 172.764 0.03 1 99 26 23 GLY CA C 45.466 0.03 1 100 26 23 GLY N N 108.493 0.010 1 101 27 24 ASP H H 8.415 0.002 1 102 27 24 ASP C C 176.076 0.03 1 103 27 24 ASP CA C 56.903 0.03 1 104 27 24 ASP CB C 40.497 0.03 1 105 27 24 ASP N N 115.572 0.054 1 106 28 25 PHE H H 7.535 0.002 1 107 28 25 PHE C C 176.771 0.03 1 108 28 25 PHE CA C 59.900 0.03 1 109 28 25 PHE CB C 39.787 0.03 1 110 28 25 PHE N N 116.697 0.013 1 111 29 26 ASN H H 8.665 0.007 1 112 29 26 ASN C C 176.470 0.03 1 113 29 26 ASN CA C 57.928 0.03 1 114 29 26 ASN CB C 41.285 0.03 1 115 29 26 ASN N N 116.462 0.013 1 116 30 27 LEU H H 7.756 0.003 1 117 30 27 LEU CA C 61.162 0.03 1 118 30 27 LEU CB C 38.998 0.03 1 119 30 27 LEU N N 119.066 0.024 1 120 31 28 PRO C C 177.175 0.03 1 121 31 28 PRO CA C 65.037 0.03 1 122 31 28 PRO CB C 31.831 0.03 1 123 32 29 ARG H H 7.031 0.002 1 124 32 29 ARG C C 175.173 0.03 1 125 32 29 ARG CA C 55.483 0.03 1 126 32 29 ARG CB C 31.347 0.03 1 127 32 29 ARG N N 113.931 0.053 1 128 33 30 ASP H H 7.377 0.003 1 129 33 30 ASP C C 174.710 0.03 1 130 33 30 ASP CA C 53.985 0.03 1 131 33 30 ASP CB C 41.522 0.03 1 132 33 30 ASP N N 124.472 0.045 1 133 34 31 LYS H H 8.361 0.003 1 134 34 31 LYS C C 178.114 0.03 1 135 34 31 LYS CA C 60.216 0.03 1 136 34 31 LYS CB C 32.530 0.03 1 137 34 31 LYS N N 125.636 0.034 1 138 35 32 PHE H H 8.050 0.001 1 139 35 32 PHE C C 178.191 0.03 1 140 35 32 PHE CA C 60.926 0.03 1 141 35 32 PHE CB C 39.392 0.03 1 142 35 32 PHE N N 118.140 0.040 1 143 36 33 LEU H H 8.489 0.012 1 144 36 33 LEU C C 178.578 0.03 1 145 36 33 LEU CA C 57.850 0.03 1 146 36 33 LEU CB C 41.443 0.03 1 147 36 33 LEU N N 122.276 0.078 1 148 37 34 LYS H H 8.600 0.004 1 149 37 34 LYS C C 178.578 0.03 1 150 37 34 LYS CA C 60.453 0.03 1 151 37 34 LYS CB C 31.505 0.03 1 152 37 34 LYS N N 117.645 0.002 1 153 38 35 GLU H H 7.033 0.006 1 154 38 35 GLU C C 179.527 0.03 1 155 38 35 GLU CA C 58.402 0.03 1 156 38 35 GLU CB C 28.902 0.03 1 157 38 35 GLU N N 116.203 0.048 1 158 39 36 GLN H H 7.617 0.003 1 159 39 36 GLN C C 180.569 0.03 1 160 39 36 GLN CA C 57.850 0.03 1 161 39 36 GLN CB C 27.797 0.03 1 162 39 36 GLN N N 118.591 0.015 1 163 40 37 ILE H H 8.148 0.003 1 164 40 37 ILE C C 175.520 0.03 1 165 40 37 ILE CA C 64.870 0.03 1 166 40 37 ILE CB C 37.972 0.03 1 167 40 37 ILE N N 114.400 0.054 1 168 41 38 LYS H H 6.892 0.001 1 169 41 38 LYS C C 178.415 0.03 1 170 41 38 LYS CA C 57.613 0.03 1 171 41 38 LYS CB C 33.319 0.03 1 172 41 38 LYS N N 118.366 0.029 1 173 42 39 LEU H H 6.965 0.002 1 174 42 39 LEU C C 177.458 0.03 1 175 42 39 LEU CA C 57.850 0.03 1 176 42 39 LEU CB C 42.232 0.03 1 177 42 39 LEU N N 118.085 0.038 1 178 43 40 ASP H H 9.257 0.003 1 179 43 40 ASP C C 174.591 0.03 1 180 43 40 ASP CA C 53.432 0.03 1 181 43 40 ASP CB C 41.285 0.03 1 182 43 40 ASP N N 121.398 0.007 1 183 44 41 GLU H H 8.800 0.03 1 184 44 41 GLU C C 175.011 0.03 1 185 44 41 GLU CA C 57.534 0.03 1 186 44 41 GLU CB C 27.955 0.03 1 187 44 41 GLU N N 114.577 0.029 1 188 45 42 GLY H H 7.365 0.003 1 189 45 42 GLY C C 178.230 0.03 1 190 45 42 GLY CA C 45.860 0.03 1 191 45 42 GLY N N 107.286 0.045 1 192 46 43 TRP H H 7.563 0.001 1 193 46 43 TRP C C 177.582 0.03 1 194 46 43 TRP CA C 57.850 0.03 1 195 46 43 TRP CB C 30.716 0.03 1 196 46 43 TRP N N 118.102 0.015 1 197 47 44 VAL H H 10.027 0.002 1 198 47 44 VAL CA C 59.900 0.03 1 199 47 44 VAL CB C 35.370 0.03 1 200 47 44 VAL N N 125.882 0.051 1 201 48 45 PRO C C 178.879 0.03 1 202 49 46 LEU H H 8.736 0.001 1 203 49 46 LEU C C 177.813 0.03 1 204 49 46 LEU CA C 58.402 0.03 1 205 49 46 LEU CB C 39.708 0.03 1 206 49 46 LEU N N 127.240 0.016 1 207 50 47 GLU H H 8.678 0.003 1 208 50 47 GLU C C 177.419 0.03 1 209 50 47 GLU CA C 59.743 0.03 1 210 50 47 GLU CB C 29.611 0.03 1 211 50 47 GLU N N 116.906 0.048 1 212 51 48 ILE H H 6.991 0.004 1 213 51 48 ILE C C 177.860 0.03 1 214 51 48 ILE CB C 36.789 0.03 1 215 51 48 ILE N N 116.910 0.031 1 216 52 49 MET H H 7.203 0.120 1 217 52 49 MET C C 178.392 0.03 1 218 52 49 MET CA C 59.151 3.352 1 219 52 49 MET CB C 28.902 0.03 1 220 52 49 MET N N 117.444 0.294 1 221 53 50 ILE H H 7.957 0.03 1 222 53 50 ILE N N 110.326 0.03 1 223 54 51 LYS H H 7.519 0.001 1 224 54 51 LYS C C 177.535 0.03 1 225 54 51 LYS CA C 57.376 0.03 1 226 54 51 LYS CB C 31.426 0.03 1 227 54 51 LYS N N 120.481 0.036 1 228 55 52 PHE H H 7.696 0.03 1 229 55 52 PHE CA C 57.771 0.03 1 230 55 52 PHE CB C 37.578 0.03 1 231 55 52 PHE N N 119.987 0.03 1 232 57 54 ARG C C 177.443 0.03 1 233 58 55 LEU H H 7.388 0.001 1 234 58 55 LEU C C 177.141 0.03 1 235 58 55 LEU CA C 56.509 0.03 1 236 58 55 LEU CB C 43.178 0.03 1 237 58 55 LEU N N 115.734 0.049 1 238 59 56 ASN H H 8.421 0.03 1 239 59 56 ASN C C 176.864 0.03 1 240 59 56 ASN CA C 56.035 0.03 1 241 59 56 ASN CB C 37.578 0.03 1 242 59 56 ASN N N 117.143 0.045 1 243 60 57 ARG H H 7.521 0.004 1 244 60 57 ARG C C 176.979 0.03 1 245 60 57 ARG CA C 57.613 0.03 1 246 60 57 ARG CB C 29.769 0.03 1 247 60 57 ARG N N 116.036 0.046 1 248 61 58 LEU H H 7.835 0.03 1 249 61 58 LEU C C 176.261 0.03 1 250 61 58 LEU CA C 56.745 0.03 1 251 61 58 LEU CB C 41.837 0.03 1 252 61 58 LEU N N 120.219 0.003 1 253 62 59 THR H H 7.729 0.001 1 254 62 59 THR C C 170.077 0.03 1 255 62 59 THR CA C 62.188 0.03 1 256 62 59 THR CB C 67.788 0.03 1 257 62 59 THR N N 112.012 0.010 1 258 63 60 THR H H 7.745 0.002 1 259 63 60 THR C C 173.075 0.03 1 260 63 60 THR CA C 65.028 4.260 1 261 63 60 THR N N 111.053 0.039 1 262 64 61 ASP H H 8.577 0.001 1 263 64 61 ASP C C 176.916 0.03 1 264 64 61 ASP CA C 53.748 0.03 1 265 64 61 ASP CB C 42.153 0.03 1 266 64 61 ASP N N 125.354 0.033 1 267 65 62 PHE H H 8.778 0.003 1 268 65 62 PHE C C 177.813 0.03 1 269 65 62 PHE CA C 58.796 0.03 1 270 65 62 PHE CB C 37.736 0.03 1 271 65 62 PHE N N 126.787 0.006 1 272 66 63 ASN H H 8.333 0.002 1 273 66 63 ASN C C 177.651 0.03 1 274 66 63 ASN CA C 56.903 0.03 1 275 66 63 ASN CB C 38.446 0.03 1 276 66 63 ASN N N 116.230 0.009 1 277 67 64 VAL H H 7.421 0.001 1 278 67 64 VAL C C 178.670 0.03 1 279 67 64 VAL CA C 66.053 0.03 1 280 67 64 VAL CB C 31.741 0.03 1 281 67 64 VAL N N 121.665 0.054 1 282 68 65 ILE H H 7.552 0.002 1 283 68 65 ILE C C 177.026 0.03 1 284 68 65 ILE CA C 66.684 0.03 1 285 68 65 ILE CB C 37.736 0.03 1 286 68 65 ILE N N 118.842 0.038 1 287 69 66 VAL H H 8.182 0.003 1 288 69 66 VAL C C 176.516 0.03 1 289 69 66 VAL CA C 67.315 0.03 1 290 69 66 VAL CB C 31.268 0.03 1 291 69 66 VAL N N 116.737 0.043 1 292 70 67 GLU H H 8.158 0.003 1 293 70 67 GLU C C 179.805 0.03 1 294 70 67 GLU CA C 59.821 0.03 1 295 70 67 GLU CB C 28.980 0.03 1 296 70 67 GLU N N 122.305 0.035 1 297 71 68 ALA H H 8.022 0.001 1 298 71 68 ALA C C 179.990 0.03 1 299 71 68 ALA CA C 55.720 0.03 1 300 71 68 ALA CB C 18.884 0.03 1 301 71 68 ALA N N 120.944 0.028 1 302 72 69 LEU H H 8.178 0.002 1 303 72 69 LEU C C 180.315 0.03 1 304 72 69 LEU CA C 57.613 0.03 1 305 72 69 LEU CB C 42.311 0.03 1 306 72 69 LEU N N 116.265 0.040 1 307 73 70 SER H H 8.230 0.03 1 308 73 70 SER C C 174.687 0.03 1 309 73 70 SER CA C 61.478 0.03 1 310 73 70 SER CB C 63.765 0.03 1 311 73 70 SER N N 115.997 0.008 1 312 74 71 LYS H H 7.060 0.001 1 313 74 71 LYS C C 176.701 0.03 1 314 74 71 LYS CA C 56.509 0.03 1 315 74 71 LYS CB C 33.082 0.03 1 316 74 71 LYS N N 119.493 0.035 1 317 75 72 SER H H 7.118 0.003 1 318 75 72 SER C C 177.188 0.03 1 319 75 72 SER CA C 58.638 0.03 1 320 75 72 SER CB C 64.475 0.03 1 321 75 72 SER N N 114.335 0.039 1 322 76 73 LYS H H 9.065 0.004 1 323 76 73 LYS C C 177.257 0.03 1 324 76 73 LYS CA C 56.272 0.03 1 325 76 73 LYS CB C 31.820 0.03 1 326 76 73 LYS N N 127.521 0.049 1 327 77 74 ALA H H 8.279 0.03 1 328 77 74 ALA C C 177.697 0.03 1 329 77 74 ALA CA C 54.221 0.03 1 330 77 74 ALA CB C 18.569 0.03 1 331 77 74 ALA N N 122.576 0.016 1 332 78 75 GLU H H 7.778 0.001 1 333 78 75 GLU C C 174.733 0.03 1 334 78 75 GLU CA C 56.824 0.03 1 335 78 75 GLU CB C 27.245 0.03 1 336 78 75 GLU N N 111.775 0.013 1 337 79 76 LEU H H 7.774 0.001 1 338 79 76 LEU C C 175.567 0.03 1 339 79 76 LEU CA C 56.745 0.03 1 340 79 76 LEU CB C 44.993 0.03 1 341 79 76 LEU N N 120.212 0.013 1 342 80 77 MET H H 7.913 0.002 1 343 80 77 MET C C 177.049 0.03 1 344 80 77 MET CA C 51.934 0.03 1 345 80 77 MET CB C 30.479 0.03 1 346 80 77 MET N N 112.289 0.050 1 347 81 78 GLU H H 9.274 0.003 1 348 81 78 GLU C C 174.478 0.03 1 349 81 78 GLU CA C 54.931 0.03 1 350 81 78 GLU CB C 33.240 0.03 1 351 81 78 GLU N N 121.193 0.049 1 352 82 79 ILE H H 8.546 0.03 1 353 82 79 ILE C C 175.914 0.03 1 354 82 79 ILE CA C 60.453 0.03 1 355 82 79 ILE CB C 40.339 0.03 1 356 82 79 ILE N N 122.086 0.014 1 357 83 80 SER H H 8.479 0.002 1 358 83 80 SER C C 176.424 0.03 1 359 83 80 SER CA C 59.743 0.03 1 360 83 80 SER CB C 63.450 0.03 1 361 83 80 SER N N 124.709 0.050 1 362 84 81 GLU H H 8.705 0.03 1 363 84 81 GLU C C 177.712 0.03 1 364 84 81 GLU CA C 59.900 0.03 1 365 84 81 GLU CB C 28.980 0.03 1 366 84 81 GLU N N 124.009 0.054 1 367 85 82 ASP H H 7.890 0.001 1 368 85 82 ASP C C 175.381 0.03 1 369 85 82 ASP CA C 53.275 0.03 1 370 85 82 ASP CB C 40.181 0.03 1 371 85 82 ASP N N 114.339 0.033 1 372 86 83 LYS H H 7.886 0.001 1 373 86 83 LYS C C 174.998 0.03 1 374 86 83 LYS CA C 58.007 0.03 1 375 86 83 LYS CB C 28.980 0.03 1 376 86 83 LYS N N 113.388 0.052 1 377 87 84 THR H H 7.435 0.001 1 378 87 84 THR CA C 62.661 0.03 1 379 87 84 THR CB C 71.416 0.03 1 380 87 84 THR N N 103.544 0.054 1 381 88 85 LYS H H 7.780 0.003 1 382 88 85 LYS C C 173.413 0.03 1 383 88 85 LYS CA C 55.247 0.03 1 384 88 85 LYS CB C 36.553 0.03 1 385 88 85 LYS N N 121.175 0.022 1 386 89 86 ILE H H 8.324 0.03 1 387 89 86 ILE C C 173.830 0.03 1 388 89 86 ILE CA C 59.348 0.03 1 389 89 86 ILE CB C 42.468 0.03 1 390 89 86 ILE N N 112.462 0.035 1 391 90 87 ARG H H 8.368 0.03 1 392 90 87 ARG C C 173.528 0.03 1 393 90 87 ARG CA C 54.458 0.03 1 394 90 87 ARG CB C 34.186 0.03 1 395 90 87 ARG N N 115.777 0.013 1 396 91 88 ARG H H 9.096 0.001 1 397 91 88 ARG C C 176.169 0.03 1 398 91 88 ARG CA C 56.272 0.03 1 399 91 88 ARG CB C 29.848 0.03 1 400 91 88 ARG N N 124.635 0.055 1 401 92 89 SER H H 9.132 0.03 1 402 92 89 SER CA C 56.588 0.03 1 403 92 89 SER CB C 64.633 0.03 1 404 92 89 SER N N 122.816 0.024 1 405 93 90 PRO C C 177.003 0.03 1 406 93 90 PRO CA C 63.959 0.03 1 407 93 90 PRO CB C 31.831 0.03 1 408 94 91 SER H H 7.669 0.003 1 409 94 91 SER C C 173.227 0.03 1 410 94 91 SER CA C 59.664 0.03 1 411 94 91 SER CB C 63.450 0.03 1 412 94 91 SER N N 111.314 0.003 1 413 95 92 LYS H H 7.486 0.001 1 414 95 92 LYS CA C 53.038 0.03 1 415 95 92 LYS CB C 31.583 0.03 1 416 95 92 LYS N N 122.550 0.022 1 417 96 93 PRO C C 177.049 0.03 1 418 96 93 PRO CA C 62.928 0.03 1 419 96 93 PRO CB C 32.387 0.03 1 420 97 94 LEU H H 8.441 0.03 1 421 97 94 LEU CA C 53.432 0.03 1 422 97 94 LEU CB C 41.522 0.03 1 423 97 94 LEU N N 124.681 0.010 1 424 98 95 PRO C C 176.956 0.03 1 425 98 95 PRO CA C 62.838 0.03 1 426 99 96 GLU H H 8.271 0.03 1 427 99 96 GLU C C 176.665 0.03 1 428 99 96 GLU CA C 56.666 0.03 1 429 99 96 GLU CB C 30.085 0.03 1 430 99 96 GLU N N 121.174 0.021 1 431 100 97 VAL H H 8.135 0.001 1 432 100 97 VAL C C 176.053 0.03 1 433 100 97 VAL CA C 62.582 0.03 1 434 100 97 VAL CB C 32.293 0.03 1 435 100 97 VAL N N 121.888 0.036 1 436 101 98 THR H H 8.044 0.003 1 437 101 98 THR C C 174.375 0.03 1 438 101 98 THR CA C 61.636 0.03 1 439 101 98 THR CB C 70.628 0.03 1 440 101 98 THR N N 117.857 0.029 1 441 102 99 ASP H H 8.296 0.03 1 442 102 99 ASP C C 174.617 0.03 1 443 102 99 ASP CA C 55.168 0.03 1 444 102 99 ASP CB C 41.128 0.03 1 445 102 99 ASP N N 122.793 0.008 1 446 103 100 GLU H H 8.296 0.011 1 447 103 100 GLU CA C 57.850 0.03 1 448 103 100 GLU CB C 29.927 0.03 1 449 103 100 GLU N N 121.092 0.094 1 450 109 106 LYS H H 8.653 0.03 1 451 109 106 LYS C C 178.323 0.03 1 452 109 106 LYS N N 124.096 0.03 1 453 110 107 ASN H H 7.807 0.03 1 454 110 107 ASN C C 173.783 0.03 1 455 110 107 ASN CA C 54.852 0.03 1 456 110 107 ASN CB C 38.761 0.03 1 457 110 107 ASN N N 115.768 0.03 1 458 111 108 ARG C C 174.200 0.03 1 459 112 109 SER H H 7.726 0.225 1 460 112 109 SER C C 173.389 0.03 1 461 112 109 SER CA C 59.229 0.591 1 462 112 109 SER CB C 64.712 0.710 1 463 112 109 SER N N 115.431 0.146 1 464 113 110 VAL H H 9.616 0.03 1 465 113 110 VAL C C 176.712 0.03 1 466 113 110 VAL N N 125.217 0.03 1 467 114 111 TYR H H 9.725 0.03 1 468 114 111 TYR C C 173.088 0.03 1 469 114 111 TYR N N 128.836 0.03 1 470 115 112 ILE H H 7.986 0.03 1 471 115 112 ILE C C 173.691 0.03 1 472 115 112 ILE CA C 59.979 0.03 1 473 115 112 ILE CB C 41.522 0.03 1 474 115 112 ILE N N 124.221 0.023 1 475 116 113 LYS H H 8.898 0.001 1 476 116 113 LYS CA C 55.010 0.03 1 477 116 113 LYS CB C 36.001 0.03 1 478 116 113 LYS N N 126.574 0.035 1 479 117 114 GLY H H 8.211 0.03 1 480 117 114 GLY N N 110.499 0.03 1 481 119 116 PRO C C 178.068 0.03 1 482 120 117 THR H H 8.429 0.03 1 483 120 117 THR C C 174.501 0.03 1 484 120 117 THR N N 111.998 0.03 1 485 121 118 ASP H H 8.125 0.006 1 486 121 118 ASP C C 176.285 0.03 1 487 121 118 ASP CA C 53.196 0.03 1 488 121 118 ASP CB C 39.866 0.03 1 489 121 118 ASP N N 117.638 0.008 1 490 122 119 ALA H H 7.548 0.03 1 491 122 119 ALA CA C 52.880 0.03 1 492 122 119 ALA CB C 18.490 0.03 1 493 122 119 ALA N N 124.417 0.032 1 494 123 120 THR H H 8.418 0.03 1 495 123 120 THR C C 175.080 0.03 1 496 123 120 THR CA C 59.269 0.03 1 497 123 120 THR N N 111.694 0.090 1 498 124 121 LEU H H 8.480 0.001 1 499 124 121 LEU C C 178.392 0.03 1 500 124 121 LEU CA C 58.323 0.03 1 501 124 121 LEU CB C 40.654 0.03 1 502 124 121 LEU N N 121.407 0.020 1 503 125 122 ASP H H 7.699 0.03 1 504 125 122 ASP C C 178.392 0.03 1 505 125 122 ASP CA C 58.323 0.03 1 506 125 122 ASP CB C 40.497 0.03 1 507 125 122 ASP N N 116.435 0.050 1 508 126 123 ASP H H 7.597 0.03 1 509 126 123 ASP C C 179.365 0.03 1 510 126 123 ASP CA C 58.165 0.03 1 511 126 123 ASP CB C 40.733 0.03 1 512 126 123 ASP N N 121.403 0.014 1 513 127 124 ILE H H 7.696 0.001 1 514 127 124 ILE C C 177.489 0.03 1 515 127 124 ILE CA C 65.658 0.03 1 516 127 124 ILE CB C 37.578 0.03 1 517 127 124 ILE N N 122.765 0.048 1 518 128 125 LYS H H 8.875 0.002 1 519 128 125 LYS C C 179.319 0.03 1 520 128 125 LYS CA C 60.768 0.03 1 521 128 125 LYS CB C 32.136 0.03 1 522 128 125 LYS N N 120.669 0.029 1 523 129 126 GLU H H 7.902 0.03 1 524 129 126 GLU C C 178.763 0.03 1 525 129 126 GLU CA C 59.506 0.03 1 526 129 126 GLU CB C 29.217 0.03 1 527 129 126 GLU N N 118.597 0.016 1 528 130 127 TRP H H 7.794 0.003 1 529 130 127 TRP CA C 61.951 0.03 1 530 130 127 TRP N N 121.391 0.003 1 531 131 128 LEU H H 8.174 0.03 1 532 131 128 LEU C C 178.392 0.03 1 533 131 128 LEU N N 115.844 0.03 1 534 132 129 GLU H H 7.434 0.003 1 535 132 129 GLU CA C 60.058 0.03 1 536 132 129 GLU CB C 29.611 0.03 1 537 132 129 GLU N N 119.338 0.250 1 538 133 130 ASP H H 7.549 0.03 1 539 133 130 ASP C C 176.655 0.03 1 540 133 130 ASP N N 114.722 0.03 1 541 134 131 LYS H H 7.741 0.056 1 542 134 131 LYS C C 175.960 0.03 1 543 134 131 LYS N N 118.152 0.03 1 544 135 132 GLY H H 7.479 0.007 1 545 135 132 GLY C C 171.398 0.03 1 546 135 132 GLY CA C 44.283 0.03 1 547 135 132 GLY N N 106.430 0.036 1 548 136 133 GLN H H 8.423 0.03 1 549 136 133 GLN CA C 56.509 0.03 1 550 136 133 GLN CB C 28.192 0.03 1 551 136 133 GLN N N 119.731 0.031 1 552 137 134 VAL H H 8.000 0.03 1 553 137 134 VAL C C 176.053 0.03 1 554 137 134 VAL N N 124.646 0.03 1 555 138 135 LEU H H 8.852 0.03 1 556 138 135 LEU C C 176.678 0.03 1 557 138 135 LEU N N 125.184 0.03 1 558 139 136 ASN H H 7.081 0.03 1 559 139 136 ASN N N 114.705 0.03 1 560 141 138 GLN H H 9.030 0.056 1 561 141 138 GLN N N 126.033 0.386 1 562 142 139 MET H H 8.893 0.03 1 563 142 139 MET C C 176.076 0.03 1 564 142 139 MET N N 125.343 0.03 1 565 143 140 ARG C C 175.937 0.03 1 566 144 141 ARG H H 8.669 0.03 1 567 144 141 ARG N N 122.698 0.03 1 568 145 142 THR H H 8.626 0.03 1 569 145 142 THR N N 112.162 0.03 1 570 148 145 LYS H H 7.920 0.03 1 571 148 145 LYS C C 175.127 0.03 1 572 148 145 LYS CA C 56.982 0.03 1 573 148 145 LYS CB C 31.426 0.03 1 574 148 145 LYS N N 113.425 0.03 1 575 149 146 ALA H H 7.403 0.033 1 576 149 146 ALA N N 124.262 0.101 1 577 150 147 PHE H H 8.997 0.03 1 578 150 147 PHE C C 177.628 0.03 1 579 150 147 PHE N N 122.852 0.03 1 580 151 148 LYS H H 8.517 0.03 1 581 151 148 LYS N N 125.646 0.03 1 582 153 150 SER H H 6.809 0.03 1 583 153 150 SER C C 176.933 0.03 1 584 153 150 SER N N 111.851 0.03 1 585 155 152 PHE H H 8.371 0.03 1 586 155 152 PHE C C 175.960 0.03 1 587 155 152 PHE N N 115.208 0.03 1 588 156 153 VAL H H 9.515 0.03 1 589 156 153 VAL C C 173.691 0.03 1 590 156 153 VAL N N 120.563 0.03 1 591 157 154 VAL H H 8.028 0.03 1 592 157 154 VAL C C 176.331 0.03 1 593 157 154 VAL CA C 61.872 0.03 1 594 157 154 VAL CB C 34.029 0.03 1 595 157 154 VAL N N 124.870 0.053 1 596 158 155 PHE H H 8.774 0.001 1 597 158 155 PHE C C 175.312 0.03 1 598 158 155 PHE CA C 59.033 0.03 1 599 158 155 PHE CB C 42.390 0.03 1 600 158 155 PHE N N 126.305 0.014 1 601 159 156 ASP H H 8.603 0.002 1 602 159 156 ASP C C 175.428 0.03 1 603 159 156 ASP CA C 56.509 0.03 1 604 159 156 ASP CB C 40.970 0.03 1 605 159 156 ASP N N 118.597 0.022 1 606 160 157 SER H H 7.702 0.004 1 607 160 157 SER C C 174.246 0.03 1 608 160 157 SER CA C 56.509 0.03 1 609 160 157 SER CB C 67.157 0.03 1 610 160 157 SER N N 111.556 0.008 1 611 161 158 ILE H H 8.935 0.001 1 612 161 158 ILE C C 177.373 0.03 1 613 161 158 ILE CA C 65.027 0.03 1 614 161 158 ILE CB C 37.894 0.03 1 615 161 158 ILE N N 123.753 0.022 1 616 162 159 GLU H H 8.608 0.001 1 617 162 159 GLU CA C 60.847 0.03 1 618 162 159 GLU CB C 28.744 0.03 1 619 162 159 GLU N N 120.679 0.016 1 620 163 160 SER C C 176.470 0.03 1 621 164 161 ALA H H 7.524 0.03 1 622 164 161 ALA C C 177.721 0.03 1 623 164 161 ALA CA C 55.404 0.03 1 624 164 161 ALA CB C 18.490 0.03 1 625 164 161 ALA N N 124.943 0.049 1 626 165 162 LYS H H 8.652 0.003 1 627 165 162 LYS C C 177.721 0.03 1 628 165 162 LYS CA C 60.374 0.03 1 629 165 162 LYS CB C 32.767 0.03 1 630 165 162 LYS N N 117.664 0.030 1 631 166 163 LYS H H 7.620 0.003 1 632 166 163 LYS C C 178.554 0.03 1 633 166 163 LYS CA C 59.348 0.03 1 634 166 163 LYS CB C 32.057 0.03 1 635 166 163 LYS N N 117.391 0.025 1 636 167 164 PHE H H 7.303 0.003 1 637 167 164 PHE C C 176.887 0.03 1 638 167 164 PHE CA C 61.715 0.03 1 639 167 164 PHE N N 119.551 0.033 1 640 168 165 VAL H H 8.170 0.003 1 641 168 165 VAL C C 177.744 0.03 1 642 168 165 VAL CA C 66.132 0.03 1 643 168 165 VAL CB C 31.820 0.03 1 644 168 165 VAL N N 118.599 0.026 1 645 169 166 GLU H H 7.929 0.003 1 646 169 166 GLU C C 176.632 0.03 1 647 169 166 GLU CA C 56.903 0.03 1 648 169 166 GLU CB C 29.059 0.03 1 649 169 166 GLU N N 115.735 0.046 1 650 170 167 THR H H 7.100 0.001 1 651 170 167 THR CA C 61.872 0.03 1 652 170 167 THR CB C 69.918 0.03 1 653 170 167 THR N N 120.472 0.023 1 654 171 168 PRO C C 177.558 0.03 1 655 171 168 PRO CA C 62.467 0.03 1 656 171 168 PRO CB C 32.664 0.03 1 657 172 169 GLY H H 8.516 0.003 1 658 172 169 GLY C C 175.428 0.03 1 659 172 169 GLY CA C 47.359 0.03 1 660 172 169 GLY N N 107.762 0.038 1 661 173 170 GLN H H 8.421 0.001 1 662 173 170 GLN C C 175.821 0.03 1 663 173 170 GLN CA C 57.928 0.03 1 664 173 170 GLN CB C 29.848 0.03 1 665 173 170 GLN N N 119.484 0.049 1 666 174 171 LYS H H 8.508 0.03 1 667 174 171 LYS C C 174.497 0.03 1 668 174 171 LYS CA C 58.007 0.03 1 669 174 171 LYS CB C 37.736 0.03 1 670 174 171 LYS N N 122.326 0.006 1 671 175 172 TYR H H 8.070 0.098 1 672 175 172 TYR C C 174.246 0.03 1 673 175 172 TYR CA C 57.219 0.03 1 674 175 172 TYR CB C 40.181 0.03 1 675 175 172 TYR N N 121.240 0.114 1 676 176 173 LYS H H 9.073 0.007 1 677 176 173 LYS C C 176.539 0.03 1 678 176 173 LYS CA C 58.638 0.03 1 679 176 173 LYS CB C 28.980 0.03 1 680 176 173 LYS N N 127.082 0.241 1 681 177 174 GLU H H 8.181 0.03 1 682 177 174 GLU C C 176.030 0.03 1 683 177 174 GLU N N 114.912 0.03 1 684 178 175 THR H H 8.244 0.006 1 685 178 175 THR C C 173.204 0.03 1 686 178 175 THR CA C 62.977 0.03 1 687 178 175 THR CB C 70.628 0.03 1 688 178 175 THR N N 119.759 0.009 1 689 179 176 ASP H H 8.354 0.003 1 690 179 176 ASP C C 174.941 0.03 1 691 179 176 ASP CA C 56.272 0.03 1 692 179 176 ASP CB C 41.680 0.03 1 693 179 176 ASP N N 126.294 0.030 1 694 180 177 LEU H H 7.502 0.001 1 695 180 177 LEU C C 175.266 0.03 1 696 180 177 LEU CA C 53.590 0.03 1 697 180 177 LEU CB C 43.809 0.03 1 698 180 177 LEU N N 120.846 0.127 1 699 181 178 LEU H H 8.300 0.034 1 700 181 178 LEU C C 174.362 0.03 1 701 181 178 LEU CA C 54.773 0.03 1 702 181 178 LEU CB C 43.257 0.03 1 703 181 178 LEU N N 125.546 0.069 1 704 182 179 ILE H H 8.284 0.001 1 705 182 179 ILE C C 174.756 0.03 1 706 182 179 ILE CA C 61.084 0.03 1 707 182 179 ILE CB C 40.181 0.03 1 708 182 179 ILE N N 127.291 0.055 1 709 183 180 LEU H H 9.052 0.002 1 710 183 180 LEU C C 177.072 0.03 1 711 183 180 LEU CA C 53.590 0.03 1 712 183 180 LEU CB C 48.069 0.03 1 713 183 180 LEU N N 126.096 0.023 1 714 184 181 PHE H H 9.607 0.03 1 715 184 181 PHE C C 178.038 0.03 1 716 184 181 PHE CA C 62.740 0.03 1 717 184 181 PHE N N 121.145 0.014 1 718 185 182 LYS H H 8.973 0.03 1 719 185 182 LYS C C 177.302 0.03 1 720 185 182 LYS N N 125.355 0.03 1 721 186 183 ASP H H 9.428 0.03 1 722 186 183 ASP N N 116.772 0.03 1 723 189 186 PHE H H 8.027 0.03 1 724 189 186 PHE N N 116.575 0.03 1 725 200 197 LYS C C 176.979 0.03 1 726 201 198 VAL H H 7.929 0.001 1 727 201 198 VAL C C 176.701 0.03 1 728 201 198 VAL CA C 63.765 0.03 1 729 201 198 VAL CB C 32.451 0.03 1 730 201 198 VAL N N 121.613 0.020 1 731 202 199 GLU H H 8.285 0.001 1 732 202 199 GLU C C 176.956 0.03 1 733 202 199 GLU CA C 57.613 0.03 1 734 202 199 GLU CB C 29.927 0.03 1 735 202 199 GLU N N 123.960 0.016 1 736 203 200 ALA H H 8.150 0.03 1 737 203 200 ALA C C 178.693 0.03 1 738 203 200 ALA CA C 53.906 0.03 1 739 203 200 ALA CB C 18.805 0.03 1 740 203 200 ALA N N 124.681 0.010 1 741 204 201 LYS H H 8.035 0.03 1 742 204 201 LYS C C 177.443 0.03 1 743 204 201 LYS CA C 57.692 0.03 1 744 204 201 LYS CB C 32.451 0.03 1 745 204 201 LYS N N 119.745 0.011 1 746 205 202 LEU H H 7.879 0.03 1 747 205 202 LEU C C 178.091 0.03 1 748 205 202 LEU CA C 56.272 0.03 1 749 205 202 LEU CB C 41.601 0.03 1 750 205 202 LEU N N 122.093 0.004 1 751 206 203 ARG H H 8.037 0.002 1 752 206 203 ARG C C 176.632 0.03 1 753 206 203 ARG CA C 57.219 0.03 1 754 206 203 ARG CB C 30.006 0.03 1 755 206 203 ARG N N 121.429 0.050 1 756 207 204 ALA H H 8.002 0.001 1 757 207 204 ALA CA C 53.669 0.03 1 758 207 204 ALA CB C 18.884 0.03 1 759 207 204 ALA N N 123.721 0.022 1 760 211 208 GLN C C 177.095 0.03 1 761 212 209 GLU H H 8.236 0.001 1 762 212 209 GLU C C 176.979 0.03 1 763 212 209 GLU CA C 57.850 0.03 1 764 212 209 GLU CB C 30.006 0.03 1 765 212 209 GLU N N 122.065 0.044 1 766 213 210 ALA H H 8.058 0.001 1 767 213 210 ALA C C 178.415 0.03 1 768 213 210 ALA CA C 53.669 0.03 1 769 213 210 ALA CB C 18.805 0.03 1 770 213 210 ALA N N 124.009 0.054 1 771 214 211 LYS H H 7.964 0.001 1 772 214 211 LYS CA C 57.771 0.03 1 773 214 211 LYS CB C 32.530 0.03 1 774 214 211 LYS N N 120.014 0.038 1 775 215 212 GLN H H 8.177 0.001 1 776 215 212 GLN C C 176.400 0.03 1 777 215 212 GLN CA C 57.140 0.03 1 778 215 212 GLN CB C 29.217 0.03 1 779 215 212 GLN N N 120.672 0.026 1 780 216 213 LYS H H 8.048 0.03 1 781 216 213 LYS C C 176.840 0.03 1 782 216 213 LYS CA C 57.140 0.03 1 783 216 213 LYS CB C 32.451 0.03 1 784 216 213 LYS N N 122.305 0.035 1 785 217 214 LEU H H 8.045 0.002 1 786 217 214 LEU C C 178.091 0.03 1 787 217 214 LEU CA C 56.430 0.03 1 788 217 214 LEU CB C 41.916 0.03 1 789 217 214 LEU N N 122.807 0.011 1 790 218 215 GLU H H 8.144 0.003 1 791 218 215 GLU CA C 57.534 0.03 1 792 218 215 GLU CB C 29.848 0.03 1 793 218 215 GLU N N 121.132 0.039 1 794 220 217 ASP H H 8.292 0.001 1 795 220 217 ASP C C 176.887 0.03 1 796 220 217 ASP CA C 55.247 0.03 1 797 220 217 ASP CB C 41.206 0.03 1 798 220 217 ASP N N 121.365 0.040 1 799 221 218 ALA H H 8.080 0.03 1 800 221 218 ALA C C 179.064 0.03 1 801 221 218 ALA CA C 54.221 0.03 1 802 221 218 ALA CB C 18.805 0.03 1 803 221 218 ALA N N 124.469 0.041 1 804 222 219 GLU H H 8.169 0.001 1 805 222 219 GLU CA C 58.244 0.03 1 806 222 219 GLU CB C 29.690 0.03 1 807 222 219 GLU N N 119.505 0.019 1 808 223 220 MET C C 178.022 0.03 1 809 224 221 LYS H H 8.039 0.03 1 810 224 221 LYS C C 175.567 0.03 1 811 224 221 LYS CA C 56.903 0.03 1 812 224 221 LYS CB C 30.321 0.03 1 813 224 221 LYS N N 121.622 0.008 1 814 225 222 SER H H 7.830 0.003 1 815 225 222 SER C C 175.567 0.03 1 816 225 222 SER CA C 60.689 0.03 1 817 225 222 SER CB C 65.422 0.03 1 818 225 222 SER N N 122.601 0.051 1 819 226 223 LEU H H 7.891 0.03 1 820 226 223 LEU C C 176.979 0.03 1 821 226 223 LEU CA C 56.588 0.03 1 822 226 223 LEU CB C 41.601 0.03 1 823 226 223 LEU N N 122.788 0.223 1 824 227 224 GLU H H 8.409 0.03 1 825 227 224 GLU CA C 58.165 0.03 1 826 227 224 GLU CB C 30.006 0.03 1 827 227 224 GLU N N 118.836 0.030 1 828 228 225 GLU H H 8.111 0.03 1 829 228 225 GLU C C 176.678 0.03 1 830 228 225 GLU N N 119.070 0.03 1 831 229 226 LYS H H 7.721 0.004 1 832 229 226 LYS C C 175.381 0.03 1 833 229 226 LYS CA C 56.351 0.03 1 834 229 226 LYS CB C 32.924 0.03 1 835 229 226 LYS N N 120.589 0.156 1 836 230 227 ILE H H 7.334 0.001 1 837 230 227 ILE C C 177.744 0.03 1 838 230 227 ILE CA C 61.399 0.03 1 839 230 227 ILE CB C 38.288 0.03 1 840 230 227 ILE N N 120.442 0.019 1 841 231 228 GLY H H 10.291 0.03 1 842 231 228 GLY C C 179.990 0.03 1 843 231 228 GLY N N 116.673 0.03 1 844 232 229 CYS C C 173.158 0.03 1 845 233 230 LEU H H 9.369 0.03 1 846 233 230 LEU C C 175.011 0.03 1 847 233 230 LEU CA C 54.931 0.03 1 848 233 230 LEU CB C 44.598 0.03 1 849 233 230 LEU N N 123.023 0.016 1 850 234 231 LEU H H 9.213 0.001 1 851 234 231 LEU C C 173.945 0.03 1 852 234 231 LEU CA C 53.038 0.03 1 853 234 231 LEU CB C 47.753 0.03 1 854 234 231 LEU N N 124.475 0.050 1 855 235 232 LYS H H 9.591 0.001 1 856 235 232 LYS C C 174.524 0.03 1 857 235 232 LYS CA C 55.010 0.03 1 858 235 232 LYS CB C 36.079 0.03 1 859 235 232 LYS N N 129.366 0.008 1 860 236 233 PHE H H 8.181 0.002 1 861 236 233 PHE C C 173.691 0.03 1 862 236 233 PHE CA C 53.906 0.03 1 863 236 233 PHE CB C 42.390 0.03 1 864 236 233 PHE N N 122.779 0.028 1 865 237 234 SER H H 7.646 0.03 1 866 237 234 SER C C 172.185 0.03 1 867 237 234 SER CA C 57.850 0.03 1 868 237 234 SER CB C 66.289 0.03 1 869 237 234 SER N N 110.119 0.036 1 870 238 235 GLY H H 8.056 0.004 1 871 238 235 GLY C C 172.255 0.03 1 872 238 235 GLY CA C 45.229 0.03 1 873 238 235 GLY N N 106.616 0.012 1 874 239 236 ASP H H 9.138 0.002 1 875 239 236 ASP C C 176.331 0.03 1 876 239 236 ASP CA C 52.565 0.03 1 877 239 236 ASP CB C 38.288 0.03 1 878 239 236 ASP N N 124.427 0.018 1 879 240 237 LEU H H 7.179 0.03 1 880 240 237 LEU C C 177.883 0.03 1 881 240 237 LEU CA C 55.247 0.03 1 882 240 237 LEU CB C 39.866 0.03 1 883 240 237 LEU N N 116.036 0.046 1 884 241 238 ASP H H 8.841 0.004 1 885 241 238 ASP CA C 55.010 0.03 1 886 241 238 ASP CB C 43.809 0.03 1 887 241 238 ASP N N 123.024 0.015 1 888 242 239 ASP H H 9.346 0.03 1 889 242 239 ASP C C 177.003 0.03 1 890 242 239 ASP N N 128.245 0.03 1 891 243 240 GLN H H 9.211 0.001 1 892 243 240 GLN CA C 56.035 0.03 1 893 243 240 GLN CB C 28.823 0.03 1 894 243 240 GLN N N 118.558 0.032 1 895 244 241 THR H H 7.851 0.03 1 896 244 241 THR N N 116.406 0.03 1 897 245 242 CYS C C 174.548 0.03 1 898 247 244 GLU C C 177.836 0.03 1 899 248 245 ASP H H 7.478 0.001 1 900 248 245 ASP C C 179.064 0.03 1 901 248 245 ASP CA C 58.165 0.03 1 902 248 245 ASP CB C 41.522 0.03 1 903 248 245 ASP N N 118.108 0.006 1 904 249 246 LEU H H 7.184 0.001 1 905 249 246 LEU CA C 56.509 0.03 1 906 249 246 LEU CB C 40.260 0.03 1 907 249 246 LEU N N 120.478 0.031 1 908 250 247 HIS C C 178.855 0.03 1 909 251 248 ILE H H 8.076 0.006 1 910 251 248 ILE CA C 64.791 0.03 1 911 251 248 ILE CB C 38.051 0.03 1 912 251 248 ILE N N 119.321 0.052 1 913 252 249 LEU H H 7.365 0.001 1 914 252 249 LEU C C 178.323 0.03 1 915 252 249 LEU CA C 57.850 0.03 1 916 252 249 LEU CB C 43.257 0.03 1 917 252 249 LEU N N 120.924 0.03 1 918 253 250 PHE H H 7.500 0.001 1 919 253 250 PHE CA C 61.241 0.03 1 920 253 250 PHE CB C 40.654 0.03 1 921 253 250 PHE N N 109.893 0.023 1 922 254 251 SER C C 175.358 0.03 1 923 256 253 HIS C C 174.710 0.03 1 924 257 254 GLY H H 7.916 0.03 1 925 257 254 GLY CA C 45.387 0.03 1 926 257 254 GLY N N 104.765 0.012 1 927 258 255 GLU C C 174.918 0.03 1 928 259 256 ILE H H 8.821 0.003 1 929 259 256 ILE C C 176.354 0.03 1 930 259 256 ILE CA C 63.529 0.03 1 931 259 256 ILE CB C 38.288 0.03 1 932 259 256 ILE N N 127.967 0.016 1 933 260 257 LYS H H 9.244 0.002 1 934 260 257 LYS C C 176.354 0.03 1 935 260 257 LYS CA C 56.035 0.03 1 936 260 257 LYS CB C 33.082 0.03 1 937 260 257 LYS N N 127.922 0.046 1 938 261 258 TRP H H 7.791 0.003 1 939 261 258 TRP C C 172.672 0.03 1 940 261 258 TRP CA C 58.007 0.03 1 941 261 258 TRP CB C 33.792 0.03 1 942 261 258 TRP N N 119.752 0.001 1 943 262 259 ILE H H 7.374 0.001 1 944 262 259 ILE C C 173.227 0.03 1 945 262 259 ILE CA C 60.926 0.03 1 946 262 259 ILE CB C 41.049 0.03 1 947 262 259 ILE N N 124.890 0.026 1 948 263 260 ASP H H 9.301 0.004 1 949 263 260 ASP C C 174.015 0.03 1 950 263 260 ASP CA C 52.501 0.03 1 951 263 260 ASP CB C 41.995 0.03 1 952 263 260 ASP N N 128.910 0.025 1 953 264 261 PHE H H 7.447 0.001 1 954 264 261 PHE C C 172.625 0.03 1 955 264 261 PHE CA C 59.269 0.03 1 956 264 261 PHE CB C 42.153 0.03 1 957 264 261 PHE N N 122.125 0.041 1 958 265 262 VAL H H 6.854 0.001 1 959 265 262 VAL C C 172.463 0.03 1 960 265 262 VAL CA C 60.137 0.03 1 961 265 262 VAL N N 128.168 0.030 1 962 266 263 ARG H H 7.841 0.003 1 963 266 263 ARG C C 177.327 0.03 1 964 266 263 ARG CA C 58.402 0.03 1 965 266 263 ARG CB C 29.690 0.03 1 966 266 263 ARG N N 123.706 0.044 1 967 267 264 GLY H H 8.761 0.002 1 968 267 264 GLY C C 174.478 0.03 1 969 267 264 GLY CA C 45.466 0.03 1 970 267 264 GLY N N 115.801 0.033 1 971 268 265 ALA H H 7.903 0.002 1 972 268 265 ALA C C 177.072 0.03 1 973 268 265 ALA CA C 52.092 0.03 1 974 268 265 ALA CB C 20.462 0.03 1 975 268 265 ALA N N 123.295 0.038 1 976 269 266 LYS H H 8.536 0.005 1 977 269 266 LYS C C 174.918 0.03 1 978 269 266 LYS CA C 54.379 0.03 1 979 269 266 LYS CB C 31.347 0.03 1 980 269 266 LYS N N 115.735 0.046 1 981 270 267 GLU H H 7.335 0.002 1 982 270 267 GLU C C 173.320 0.03 1 983 270 267 GLU CA C 54.379 0.03 1 984 270 267 GLU CB C 33.003 0.03 1 985 270 267 GLU N N 113.893 0.03 1 986 271 268 GLY H H 7.430 0.001 1 987 271 268 GLY C C 170.309 0.03 1 988 271 268 GLY CA C 45.781 0.03 1 989 271 268 GLY N N 106.854 0.009 1 990 272 269 ILE H H 8.178 0.001 1 991 272 269 ILE C C 174.061 0.03 1 992 272 269 ILE CA C 66.763 0.03 1 993 272 269 ILE CB C 42.705 0.03 1 994 272 269 ILE N N 116.902 0.053 1 995 273 270 ILE H H 9.456 0.003 1 996 273 270 ILE C C 173.413 0.03 1 997 273 270 ILE CA C 60.926 0.03 1 998 273 270 ILE CB C 41.522 0.03 1 999 273 270 ILE N N 126.515 0.048 1 1000 274 271 LEU H H 8.775 0.001 1 1001 274 271 LEU C C 175.613 0.03 1 1002 274 271 LEU CA C 53.827 0.03 1 1003 274 271 LEU CB C 44.204 0.03 1 1004 274 271 LEU N N 126.984 0.049 1 1005 275 272 PHE H H 9.210 0.03 1 1006 275 272 PHE C C 175.474 0.03 1 1007 275 272 PHE CA C 58.323 0.03 1 1008 275 272 PHE CB C 41.916 0.03 1 1009 275 272 PHE N N 127.918 0.052 1 1010 276 273 LYS H H 8.613 0.003 1 1011 276 273 LYS CA C 59.585 0.03 1 1012 276 273 LYS CB C 33.871 0.03 1 1013 276 273 LYS N N 119.745 0.011 1 1014 278 275 LYS C C 178.624 0.03 1 1015 279 276 ALA H H 9.121 0.001 1 1016 279 276 ALA C C 178.763 0.03 1 1017 279 276 ALA CA C 55.010 0.03 1 1018 279 276 ALA CB C 19.042 0.03 1 1019 279 276 ALA N N 125.612 0.03 1 1020 280 277 LYS H H 9.008 0.03 1 1021 280 277 LYS C C 179.133 0.03 1 1022 280 277 LYS CA C 59.821 0.03 1 1023 280 277 LYS CB C 31.978 0.03 1 1024 280 277 LYS N N 115.967 0.051 1 1025 281 278 GLU H H 7.104 0.03 1 1026 281 278 GLU C C 178.045 0.03 1 1027 281 278 GLU CA C 58.875 0.03 1 1028 281 278 GLU CB C 29.296 0.03 1 1029 281 278 GLU N N 119.988 0.002 1 1030 282 279 ALA H H 6.894 0.03 1 1031 282 279 ALA C C 179.087 0.03 1 1032 282 279 ALA CA C 55.168 0.03 1 1033 282 279 ALA CB C 17.543 0.03 1 1034 282 279 ALA N N 123.051 0.024 1 1035 283 280 LEU H H 8.025 0.03 1 1036 283 280 LEU C C 177.883 0.03 1 1037 283 280 LEU CA C 58.244 0.03 1 1038 283 280 LEU CB C 41.522 0.03 1 1039 283 280 LEU N N 116.236 0.002 1 1040 284 281 GLY H H 7.677 0.001 1 1041 284 281 GLY C C 176.122 0.03 1 1042 284 281 GLY CA C 47.517 0.03 1 1043 284 281 GLY N N 105.223 0.001 1 1044 285 282 LYS H H 7.789 0.002 1 1045 285 282 LYS C C 179.249 0.03 1 1046 285 282 LYS CA C 59.821 0.03 1 1047 285 282 LYS CB C 32.293 0.03 1 1048 285 282 LYS N N 121.630 0.004 1 1049 286 283 ALA H H 7.770 0.03 1 1050 286 283 ALA C C 180.152 0.03 1 1051 286 283 ALA CA C 55.010 0.03 1 1052 286 283 ALA CB C 18.963 0.03 1 1053 286 283 ALA N N 122.595 0.042 1 1054 287 284 LYS H H 8.534 0.003 1 1055 287 284 LYS C C 179.712 0.03 1 1056 287 284 LYS CA C 61.478 0.03 1 1057 287 284 LYS CB C 32.136 0.03 1 1058 287 284 LYS N N 119.950 0.053 1 1059 288 285 ASP H H 7.995 0.03 1 1060 288 285 ASP C C 178.948 0.03 1 1061 288 285 ASP CA C 57.928 0.03 1 1062 288 285 ASP CB C 40.260 0.03 1 1063 288 285 ASP N N 120.921 0.004 1 1064 289 286 ALA H H 7.400 0.002 1 1065 289 286 ALA C C 177.304 0.03 1 1066 289 286 ALA CA C 53.827 0.03 1 1067 289 286 ALA CB C 19.200 0.03 1 1068 289 286 ALA N N 120.914 0.015 1 1069 290 287 ASN H H 7.239 0.001 1 1070 290 287 ASN C C 174.223 0.03 1 1071 290 287 ASN CA C 53.511 0.03 1 1072 290 287 ASN CB C 40.181 0.03 1 1073 290 287 ASN N N 116.949 0.013 1 1074 291 288 ASN H H 7.980 0.001 1 1075 291 288 ASN C C 174.918 0.03 1 1076 291 288 ASN CA C 50.396 4.615 1 1077 291 288 ASN CB C 37.578 0.03 1 1078 291 288 ASN N N 116.004 0.002 1 1079 292 289 GLY H H 8.371 0.001 1 1080 292 289 GLY C C 173.158 0.03 1 1081 292 289 GLY N N 104.103 0.053 1 1082 293 290 ASN H H 7.385 0.03 1 1083 293 290 ASN C C 172.231 0.03 1 1084 293 290 ASN CA C 52.644 0.03 1 1085 293 290 ASN CB C 39.866 0.03 1 1086 293 290 ASN N N 119.994 0.010 1 1087 294 291 LEU H H 8.653 0.03 1 1088 294 291 LEU C C 175.474 0.03 1 1089 294 291 LEU CA C 54.300 0.03 1 1090 294 291 LEU CB C 43.178 0.03 1 1091 294 291 LEU N N 125.884 0.054 1 1092 295 292 GLN H H 8.486 0.03 1 1093 295 292 GLN C C 174.687 0.03 1 1094 295 292 GLN CA C 55.720 0.03 1 1095 295 292 GLN CB C 31.899 0.03 1 1096 295 292 GLN N N 127.497 0.015 1 1097 296 293 LEU H H 7.435 0.003 1 1098 296 293 LEU C C 176.701 0.03 1 1099 296 293 LEU CA C 53.432 0.03 1 1100 296 293 LEU CB C 44.835 0.03 1 1101 296 293 LEU N N 117.875 0.004 1 1102 297 294 ARG H H 9.735 0.004 1 1103 297 294 ARG C C 174.524 0.03 1 1104 297 294 ARG CA C 58.086 0.03 1 1105 297 294 ARG CB C 27.876 0.03 1 1106 297 294 ARG N N 129.334 0.039 1 1107 298 295 ASN H H 8.638 0.001 1 1108 298 295 ASN C C 173.274 0.03 1 1109 298 295 ASN CA C 55.017 8.756 1 1110 298 295 ASN N N 107.826 0.037 1 1111 299 296 LYS H H 7.441 0.002 1 1112 299 296 LYS C C 175.900 0.03 1 1113 299 296 LYS CA C 53.196 0.03 1 1114 299 296 LYS CB C 32.293 0.03 1 1115 299 296 LYS N N 117.409 0.03 1 1116 300 297 GLU H H 8.182 0.03 1 1117 300 297 GLU C C 175.798 0.03 1 1118 300 297 GLU CA C 56.824 0.03 1 1119 300 297 GLU CB C 29.611 0.03 1 1120 300 297 GLU N N 120.919 0.007 1 1121 301 298 VAL H H 8.378 0.001 1 1122 301 298 VAL C C 174.663 0.03 1 1123 301 298 VAL CA C 60.847 0.03 1 1124 301 298 VAL CB C 35.922 0.03 1 1125 301 298 VAL N N 124.448 0.011 1 1126 302 299 THR H H 8.696 0.001 1 1127 302 299 THR C C 173.251 0.03 1 1128 302 299 THR CA C 62.740 0.03 1 1129 302 299 THR CB C 69.445 0.03 1 1130 302 299 THR N N 121.831 0.043 1 1131 303 300 TRP H H 8.702 0.002 1 1132 303 300 TRP C C 176.007 0.03 1 1133 303 300 TRP CA C 55.562 0.03 1 1134 303 300 TRP CB C 32.214 0.03 1 1135 303 300 TRP N N 130.989 0.018 1 1136 304 301 GLU H H 9.417 0.002 1 1137 304 301 GLU C C 174.246 0.03 1 1138 304 301 GLU CA C 55.325 0.03 1 1139 304 301 GLU CB C 34.029 0.03 1 1140 304 301 GLU N N 124.477 0.053 1 1141 305 302 VAL H H 8.877 0.001 1 1142 305 302 VAL C C 176.956 0.03 1 1143 305 302 VAL CA C 62.977 0.03 1 1144 305 302 VAL CB C 31.347 0.03 1 1145 305 302 VAL N N 128.681 0.033 1 1146 306 303 LEU H H 7.712 0.002 1 1147 306 303 LEU C C 175.520 0.03 1 1148 306 303 LEU CA C 55.720 0.03 1 1149 306 303 LEU CB C 42.232 0.03 1 1150 306 303 LEU N N 127.757 0.051 1 1151 307 304 GLU H H 8.253 0.001 1 1152 307 304 GLU C C 176.910 0.03 1 1153 307 304 GLU CA C 54.773 0.03 1 1154 307 304 GLU CB C 33.950 0.03 1 1155 307 304 GLU N N 117.404 0.007 1 1156 308 305 GLY H H 8.653 0.03 1 1157 308 305 GLY CA C 46.807 0.03 1 1158 308 305 GLY N N 108.934 0.038 1 1159 309 306 GLU C C 178.531 0.03 1 1160 310 307 VAL H H 7.922 0.03 1 1161 310 307 VAL C C 178.902 0.03 1 1162 310 307 VAL CA C 66.132 0.03 1 1163 310 307 VAL CB C 31.505 0.03 1 1164 310 307 VAL N N 119.300 0.022 1 1165 311 308 GLU H H 6.859 0.001 1 1166 311 308 GLU C C 178.207 0.03 1 1167 311 308 GLU CA C 59.506 0.03 1 1168 311 308 GLU CB C 29.138 0.03 1 1169 311 308 GLU N N 121.176 0.025 1 1170 312 309 LYS H H 7.594 0.003 1 1171 312 309 LYS C C 179.041 0.03 1 1172 312 309 LYS CA C 60.058 0.03 1 1173 312 309 LYS CB C 32.057 0.03 1 1174 312 309 LYS N N 118.110 0.003 1 1175 313 310 GLU H H 7.987 0.002 1 1176 313 310 GLU C C 178.786 0.03 1 1177 313 310 GLU CA C 59.348 0.03 1 1178 313 310 GLU CB C 29.454 0.03 1 1179 313 310 GLU N N 118.133 0.029 1 1180 314 311 ALA H H 7.726 0.002 1 1181 314 311 ALA C C 179.967 0.03 1 1182 314 311 ALA CA C 55.089 0.03 1 1183 314 311 ALA CB C 18.569 0.03 1 1184 314 311 ALA N N 123.013 0.030 1 1185 315 312 LEU H H 8.386 0.001 1 1186 315 312 LEU C C 178.300 0.03 1 1187 315 312 LEU CA C 58.007 0.03 1 1188 315 312 LEU CB C 41.916 0.03 1 1189 315 312 LEU N N 118.819 0.005 1 1190 316 313 LYS H H 7.605 0.008 1 1191 316 313 LYS C C 178.485 0.03 1 1192 316 313 LYS CA C 60.058 0.03 1 1193 316 313 LYS CB C 32.372 0.03 1 1194 316 313 LYS N N 118.149 0.052 1 1195 317 314 LYS H H 7.273 0.002 1 1196 317 314 LYS C C 178.137 0.03 1 1197 317 314 LYS CA C 59.664 0.03 1 1198 317 314 LYS CB C 32.214 0.03 1 1199 317 314 LYS N N 118.853 0.054 1 1200 318 315 ILE H H 8.009 0.03 1 1201 318 315 ILE C C 178.647 0.03 1 1202 318 315 ILE N N 119.658 0.03 1 1203 319 316 ILE H H 8.368 0.03 1 1204 319 316 ILE C C 178.647 0.03 1 1205 319 316 ILE N N 120.135 0.03 1 1206 320 317 GLU H H 7.800 0.03 1 1207 320 317 GLU N N 120.658 0.03 1 stop_ save_