data_16902 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 15N, 13C and ile, leu, val sidechain CH3 Chemical Shift assignments for Aagglutinin-like ALS1 N-terminal domain ; _BMRB_accession_number 16902 _BMRB_flat_file_name bmr16902.str _Entry_type original _Submission_date 2010-04-27 _Accession_date 2010-04-27 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yan Robert W. . 2 Cota Ernesto . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 377 "13C chemical shifts" 941 "15N chemical shifts" 291 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-10-05 update BMRB 'Update entry citation' 2010-07-26 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone 1H, 15N, 13C and Ile, Leu, Val methyl chemical shift assignments for the 33.5 kDa N-terminal domain of Candida albicans ALS1.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20556550 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yan Robert . . 2 Simpson Peter J. . 3 Matthews Stephen J. . 4 Cota Ernesto . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 4 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 187 _Page_last 190 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ALS1 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ALS1 $ALS1 stop_ _System_molecular_weight 33556.0 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ALS1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ALS1 _Molecular_mass 33556.0 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 312 _Mol_residue_sequence ; KTITGVFDSFNSLTWSNAAN YAFKGPGYPTWNAVLGWSLD GTSANPGDTFTLNMPCVFKY TTSQTSVDLTADGVKYATCQ FYSGEEFTTFSTLTCTVNDA LKSSIKAFGTVTLPIAFNVG GTGSSTDLEDSKCFTAGTNT VTFNDGDKDISIDVEFEKST VDPSGYLYASRVMPSLNKVT TLFVAPQCENGYTSGTMGFS SSNGDVAIDCSNIHIGITKG LNDWNYPVSSESFSYTKTCT SNGIQIKYQNVPAGYRPFID AYISATDVNQYTLAYTNDYT CAGSRSQSKPFTLRWTGYKN SDAGSNGIVIVA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 18 LYS 2 19 THR 3 20 ILE 4 21 THR 5 22 GLY 6 23 VAL 7 24 PHE 8 25 ASP 9 26 SER 10 27 PHE 11 28 ASN 12 29 SER 13 30 LEU 14 31 THR 15 32 TRP 16 33 SER 17 34 ASN 18 35 ALA 19 36 ALA 20 37 ASN 21 38 TYR 22 39 ALA 23 40 PHE 24 41 LYS 25 42 GLY 26 43 PRO 27 44 GLY 28 45 TYR 29 46 PRO 30 47 THR 31 48 TRP 32 49 ASN 33 50 ALA 34 51 VAL 35 52 LEU 36 53 GLY 37 54 TRP 38 55 SER 39 56 LEU 40 57 ASP 41 58 GLY 42 59 THR 43 60 SER 44 61 ALA 45 62 ASN 46 63 PRO 47 64 GLY 48 65 ASP 49 66 THR 50 67 PHE 51 68 THR 52 69 LEU 53 70 ASN 54 71 MET 55 72 PRO 56 73 CYS 57 74 VAL 58 75 PHE 59 76 LYS 60 77 TYR 61 78 THR 62 79 THR 63 80 SER 64 81 GLN 65 82 THR 66 83 SER 67 84 VAL 68 85 ASP 69 86 LEU 70 87 THR 71 88 ALA 72 89 ASP 73 90 GLY 74 91 VAL 75 92 LYS 76 93 TYR 77 94 ALA 78 95 THR 79 96 CYS 80 97 GLN 81 98 PHE 82 99 TYR 83 100 SER 84 101 GLY 85 102 GLU 86 103 GLU 87 104 PHE 88 105 THR 89 106 THR 90 107 PHE 91 108 SER 92 109 THR 93 110 LEU 94 111 THR 95 112 CYS 96 113 THR 97 114 VAL 98 115 ASN 99 116 ASP 100 117 ALA 101 118 LEU 102 119 LYS 103 120 SER 104 121 SER 105 122 ILE 106 123 LYS 107 124 ALA 108 125 PHE 109 126 GLY 110 127 THR 111 128 VAL 112 129 THR 113 130 LEU 114 131 PRO 115 132 ILE 116 133 ALA 117 134 PHE 118 135 ASN 119 136 VAL 120 137 GLY 121 138 GLY 122 139 THR 123 140 GLY 124 141 SER 125 142 SER 126 143 THR 127 144 ASP 128 145 LEU 129 146 GLU 130 147 ASP 131 148 SER 132 149 LYS 133 150 CYS 134 151 PHE 135 152 THR 136 153 ALA 137 154 GLY 138 155 THR 139 156 ASN 140 157 THR 141 158 VAL 142 159 THR 143 160 PHE 144 161 ASN 145 162 ASP 146 163 GLY 147 164 ASP 148 165 LYS 149 166 ASP 150 167 ILE 151 168 SER 152 169 ILE 153 170 ASP 154 171 VAL 155 172 GLU 156 173 PHE 157 174 GLU 158 175 LYS 159 176 SER 160 177 THR 161 178 VAL 162 179 ASP 163 180 PRO 164 181 SER 165 182 GLY 166 183 TYR 167 184 LEU 168 185 TYR 169 186 ALA 170 187 SER 171 188 ARG 172 189 VAL 173 190 MET 174 191 PRO 175 192 SER 176 193 LEU 177 194 ASN 178 195 LYS 179 196 VAL 180 197 THR 181 198 THR 182 199 LEU 183 200 PHE 184 201 VAL 185 202 ALA 186 203 PRO 187 204 GLN 188 205 CYS 189 206 GLU 190 207 ASN 191 208 GLY 192 209 TYR 193 210 THR 194 211 SER 195 212 GLY 196 213 THR 197 214 MET 198 215 GLY 199 216 PHE 200 217 SER 201 218 SER 202 219 SER 203 220 ASN 204 221 GLY 205 222 ASP 206 223 VAL 207 224 ALA 208 225 ILE 209 226 ASP 210 227 CYS 211 228 SER 212 229 ASN 213 230 ILE 214 231 HIS 215 232 ILE 216 233 GLY 217 234 ILE 218 235 THR 219 236 LYS 220 237 GLY 221 238 LEU 222 239 ASN 223 240 ASP 224 241 TRP 225 242 ASN 226 243 TYR 227 244 PRO 228 245 VAL 229 246 SER 230 247 SER 231 248 GLU 232 249 SER 233 250 PHE 234 251 SER 235 252 TYR 236 253 THR 237 254 LYS 238 255 THR 239 256 CYS 240 257 THR 241 258 SER 242 259 ASN 243 260 GLY 244 261 ILE 245 262 GLN 246 263 ILE 247 264 LYS 248 265 TYR 249 266 GLN 250 267 ASN 251 268 VAL 252 269 PRO 253 270 ALA 254 271 GLY 255 272 TYR 256 273 ARG 257 274 PRO 258 275 PHE 259 276 ILE 260 277 ASP 261 278 ALA 262 279 TYR 263 280 ILE 264 281 SER 265 282 ALA 266 283 THR 267 284 ASP 268 285 VAL 269 286 ASN 270 287 GLN 271 288 TYR 272 289 THR 273 290 LEU 274 291 ALA 275 292 TYR 276 293 THR 277 294 ASN 278 295 ASP 279 296 TYR 280 297 THR 281 298 CYS 282 299 ALA 283 300 GLY 284 301 SER 285 302 ARG 286 303 SER 287 304 GLN 288 305 SER 289 306 LYS 290 307 PRO 291 308 PHE 292 309 THR 293 310 LEU 294 311 ARG 295 312 TRP 296 313 THR 297 314 GLY 298 315 TYR 299 316 LYS 300 317 ASN 301 318 SER 302 319 ASP 303 320 ALA 304 321 GLY 305 322 SER 306 323 ASN 307 324 GLY 308 325 ILE 309 326 VAL 310 327 ILE 311 328 VAL 312 329 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value GB AAC41649 "agglutinin-like protein [Candida albicans]" 100.00 1260 99.68 99.68 0.00e+00 GB AFD62903 "agglutinin-like protein, partial [Candida albicans]" 99.04 326 99.68 99.68 0.00e+00 GB AFD63116 "agglutinin-like protein, partial [Candida albicans]" 99.04 326 99.68 99.68 0.00e+00 GB AFD63117 "agglutinin-like protein, partial [Candida albicans]" 99.04 326 98.06 99.03 0.00e+00 GB AFD63118 "agglutinin-like protein, partial [Candida albicans]" 99.04 326 100.00 100.00 0.00e+00 REF XP_718010 "agglutinin-like ALS1 protein [Candida albicans SC5314]" 100.00 1260 100.00 100.00 0.00e+00 REF XP_718077 "agglutinin-like ALS1 protein [Candida albicans SC5314]" 100.00 1260 100.00 100.00 0.00e+00 SP P46590 "RecName: Full=Agglutinin-like protein 1; Flags: Precursor [Candida albicans]" 100.00 1260 99.68 99.68 0.00e+00 SP Q5A8T4 "RecName: Full=Agglutinin-like protein 1; AltName: Full=Adhesin 1; Flags: Precursor" 100.00 1260 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 _Gene_mnemonic $ALS1 Ascomycetes 5476 Eukaryota Fungi Candida albicans ALS1 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 $ALS1 'recombinant technology' . Escherichia coli OrigamiB 'pET32 Xa/LIC' 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 $ALS1 500 uM '[U-100% 13C; U-100% 15N; U-80% 2H]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'Sodium Phosphate' 50 mM 'natural abundance' 'Sodium Chloride' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_TROSY_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TROSY 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_TROSY_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY HNCACB' _Sample_label $sample_1 save_ save_3D_TROSY_HN(CO)CACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_TROSY_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY HNCO' _Sample_label $sample_1 save_ save_3D_TROSY_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY HN(CA)CO' _Sample_label $sample_1 save_ save_3D_TROSY_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_SIMULTANEOUS_1H-15N/13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D SIMULTANEOUS 1H-15N/13C NOESY' _Sample_label $sample_1 save_ save_3D_TROSY_H(CCCO)NH_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY H(CCCO)NH TOCSY' _Sample_label $sample_1 save_ save_3D_TROSY_(H)C(CCO)NH_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY (H)C(CCO)NH TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 6.0 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio TSP C 13 'methyl protons' ppm 0.00 internal indirect . . . 0.251449530 TSP H 1 'methyl protons' ppm 0.00 internal direct . . . 1 TSP N 15 'methyl protons' ppm 0.00 internal 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_assignments_thals1_correct _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D TROSY 1H-15N HSQC' '2D 1H-13C HSQC' '3D TROSY HNCACB' '3D TROSY HN(CO)CACB' '3D TROSY HNCO' '3D TROSY HN(CA)CO' '3D TROSY 1H-15N NOESY' '3D SIMULTANEOUS 1H-15N/13C NOESY' '3D TROSY H(CCCO)NH TOCSY' '3D TROSY (H)C(CCO)NH TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name ALS1 _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 1 1 LYS H H 8.661 . 1 2 1 1 LYS C C 175.211 . 1 3 1 1 LYS CA C 54.667 . 1 4 1 1 LYS CB C 34.348 . 1 5 1 1 LYS N N 122.325 . 1 6 2 2 THR H H 8.122 . 1 7 2 2 THR C C 175.195 . 1 8 2 2 THR CA C 61.091 . 1 9 2 2 THR CB C 69.532 . 1 10 2 2 THR N N 116.439 . 1 11 3 3 ILE H H 9.193 . 1 12 3 3 ILE HD1 H 0.541 . 1 13 3 3 ILE C C 174.440 . 1 14 3 3 ILE CA C 59.447 . 1 15 3 3 ILE CB C 39.727 . 1 16 3 3 ILE CD1 C 13.771 . 1 17 3 3 ILE N N 122.001 . 1 18 4 4 THR H H 8.069 . 1 19 4 4 THR C C 174.541 . 1 20 4 4 THR CA C 59.746 . 1 21 4 4 THR CB C 71.474 . 1 22 4 4 THR N N 109.807 . 1 23 5 5 GLY H H 9.025 . 1 24 5 5 GLY C C 174.876 . 1 25 5 5 GLY CA C 46.225 . 1 26 5 5 GLY N N 109.293 . 1 27 6 6 VAL H H 8.524 . 1 28 6 6 VAL HG1 H -0.133 . 4 29 6 6 VAL HG2 H -0.297 . 4 30 6 6 VAL C C 177.172 . 1 31 6 6 VAL CA C 64.153 . 1 32 6 6 VAL CB C 31.808 . 1 33 6 6 VAL CG1 C 19.922 . 2 34 6 6 VAL CG2 C 20.703 . 2 35 6 6 VAL N N 123.439 . 1 36 7 7 PHE H H 8.445 . 1 37 7 7 PHE C C 175.513 . 1 38 7 7 PHE CA C 58.327 . 1 39 7 7 PHE CB C 38.083 . 1 40 7 7 PHE N N 117.191 . 1 41 8 8 ASP H H 8.476 . 1 42 8 8 ASP C C 176.820 . 1 43 8 8 ASP CA C 53.621 . 1 44 8 8 ASP CB C 42.042 . 1 45 8 8 ASP N N 120.773 . 1 46 9 9 SER H H 7.729 . 1 47 9 9 SER C C 171.875 . 1 48 9 9 SER CA C 57.655 . 1 49 9 9 SER CB C 64.228 . 1 50 9 9 SER N N 111.131 . 1 51 10 10 PHE H H 9.264 . 1 52 10 10 PHE C C 174.926 . 1 53 10 10 PHE CA C 55.189 . 1 54 10 10 PHE CB C 38.830 . 1 55 10 10 PHE N N 128.466 . 1 56 11 11 ASN H H 9.103 . 1 57 11 11 ASN C C 176.133 . 1 58 11 11 ASN CA C 55.638 . 1 59 11 11 ASN CB C 38.382 . 1 60 11 11 ASN N N 123.504 . 1 61 12 12 SER H H 8.047 . 1 62 12 12 SER C C 171.926 . 1 63 12 12 SER CA C 58.252 . 1 64 12 12 SER CB C 63.855 . 1 65 12 12 SER N N 109.439 . 1 66 13 13 LEU H H 8.761 . 1 67 13 13 LEU HD1 H 1.323 . 4 68 13 13 LEU HD2 H 0.639 . 4 69 13 13 LEU C C 173.870 . 1 70 13 13 LEU CA C 55.264 . 1 71 13 13 LEU CB C 43.013 . 1 72 13 13 LEU CD1 C 23.842 . 1 73 13 13 LEU CD2 C 26.836 . 2 74 13 13 LEU N N 124.841 . 1 75 14 14 THR H H 7.952 . 1 76 14 14 THR C C 172.546 . 1 77 14 14 THR CA C 59.671 . 1 78 14 14 THR CB C 71.922 . 1 79 14 14 THR N N 115.781 . 1 80 15 15 TRP H H 8.787 . 1 81 15 15 TRP HE1 H 9.690 . 1 82 15 15 TRP C C 176.250 . 1 83 15 15 TRP CA C 56.683 . 1 84 15 15 TRP CB C 28.223 . 1 85 15 15 TRP N N 125.902 . 1 86 15 15 TRP NE1 N 133.109 . 1 87 16 16 SER H H 8.900 . 1 88 16 16 SER C C 172.646 . 1 89 16 16 SER CA C 55.638 . 1 90 16 16 SER CB C 62.734 . 1 91 16 16 SER N N 125.455 . 1 92 17 17 ASN H H 7.557 . 1 93 17 17 ASN C C 177.541 . 1 94 17 17 ASN CA C 52.575 . 1 95 17 17 ASN CB C 36.963 . 1 96 17 17 ASN N N 124.572 . 1 97 18 18 ALA H H 8.288 . 1 98 18 18 ALA C C 178.161 . 1 99 18 18 ALA CA C 53.770 . 1 100 18 18 ALA CB C 18.885 . 1 101 18 18 ALA N N 128.986 . 1 102 19 19 ALA H H 6.893 . 1 103 19 19 ALA C C 173.585 . 1 104 19 19 ALA CA C 51.529 . 1 105 19 19 ALA CB C 18.512 . 1 106 19 19 ALA N N 117.673 . 1 107 20 20 ASN H H 7.494 . 1 108 20 20 ASN C C 174.591 . 1 109 20 20 ASN CA C 54.293 . 1 110 20 20 ASN CB C 36.515 . 1 111 20 20 ASN N N 114.874 . 1 112 21 21 TYR H H 8.894 . 1 113 21 21 TYR C C 178.731 . 1 114 21 21 TYR CA C 59.223 . 1 115 21 21 TYR CB C 38.756 . 1 116 21 21 TYR N N 118.391 . 1 117 22 22 ALA H H 8.814 . 1 118 22 22 ALA C C 176.150 . 1 119 22 22 ALA CA C 53.920 . 1 120 22 22 ALA CB C 19.857 . 1 121 22 22 ALA N N 120.287 . 1 122 23 23 PHE H H 7.004 . 1 123 23 23 PHE C C 172.076 . 1 124 23 23 PHE CA C 54.592 . 1 125 23 23 PHE CB C 39.503 . 1 126 23 23 PHE N N 109.403 . 1 127 24 24 LYS H H 8.840 . 1 128 24 24 LYS C C 174.423 . 1 129 24 24 LYS CA C 54.442 . 1 130 24 24 LYS CB C 30.314 . 1 131 24 24 LYS N N 121.433 . 1 132 25 25 GLY H H 7.377 . 1 133 25 25 GLY CA C 42.640 . 1 134 25 25 GLY N N 112.102 . 1 135 26 26 PRO C C 175.513 . 1 136 26 26 PRO CA C 62.585 . 1 137 26 26 PRO CB C 28.522 . 1 138 27 27 GLY H H 7.453 . 1 139 27 27 GLY C C 173.373 . 1 140 27 27 GLY CA C 43.760 . 1 141 27 27 GLY N N 100.006 . 1 142 28 28 TYR H H 7.373 . 1 143 28 28 TYR C C 173.386 . 1 144 28 28 TYR CA C 50.259 . 1 145 28 28 TYR CB C 36.813 . 1 146 28 28 TYR N N 121.639 . 1 147 29 29 PRO C C 175.496 . 1 148 29 29 PRO CA C 58.626 . 1 149 29 29 PRO CB C 32.257 . 1 150 30 30 THR H H 7.623 . 1 151 30 30 THR C C 171.741 . 1 152 30 30 THR CA C 66.021 . 1 153 30 30 THR CB C 71.922 . 1 154 30 30 THR N N 120.226 . 1 155 31 31 TRP H H 9.609 . 1 156 31 31 TRP HE1 H 9.167 . 1 157 31 31 TRP C C 174.289 . 1 158 31 31 TRP CA C 56.235 . 1 159 31 31 TRP CB C 27.999 . 1 160 31 31 TRP N N 128.612 . 1 161 31 31 TRP NE1 N 130.688 . 1 162 32 32 ASN H H 9.360 . 1 163 32 32 ASN C C 175.060 . 1 164 32 32 ASN CA C 52.575 . 1 165 32 32 ASN CB C 39.204 . 1 166 32 32 ASN N N 122.278 . 1 167 33 33 ALA H H 9.303 . 1 168 33 33 ALA C C 175.127 . 1 169 33 33 ALA CA C 50.707 . 1 170 33 33 ALA CB C 18.885 . 1 171 33 33 ALA N N 132.203 . 1 172 34 34 VAL H H 9.121 . 1 173 34 34 VAL HG1 H 0.966 . 4 174 34 34 VAL HG2 H 0.927 . 4 175 34 34 VAL C C 175.513 . 1 176 34 34 VAL CA C 61.315 . 1 177 34 34 VAL CB C 31.584 . 1 178 34 34 VAL CG1 C 20.804 . 2 179 34 34 VAL CG2 C 20.835 . 2 180 34 34 VAL N N 124.800 . 1 181 35 35 LEU H H 9.033 . 1 182 35 35 LEU HD1 H 0.360 . 4 183 35 35 LEU HD2 H 0.195 . 4 184 35 35 LEU C C 176.770 . 1 185 35 35 LEU CA C 52.874 . 1 186 35 35 LEU CB C 43.760 . 1 187 35 35 LEU CD1 C 26.447 . 2 188 35 35 LEU CD2 C 23.874 . 2 189 35 35 LEU N N 127.265 . 1 190 36 36 GLY H H 8.987 . 1 191 36 36 GLY C C 172.445 . 1 192 36 36 GLY CA C 44.358 . 1 193 36 36 GLY N N 109.589 . 1 194 37 37 TRP H H 8.101 . 1 195 37 37 TRP HE1 H 9.069 . 1 196 37 37 TRP C C 175.546 . 1 197 37 37 TRP CA C 53.471 . 1 198 37 37 TRP CB C 32.555 . 1 199 37 37 TRP N N 118.199 . 1 200 37 37 TRP NE1 N 126.220 . 1 201 38 38 SER H H 8.593 . 1 202 38 38 SER C C 172.998 . 1 203 38 38 SER CA C 57.430 . 1 204 38 38 SER CB C 64.527 . 1 205 38 38 SER N N 114.045 . 1 206 39 39 LEU H H 8.988 . 1 207 39 39 LEU HD1 H 0.512 . 2 208 39 39 LEU HD2 H 0.433 . 4 209 39 39 LEU C C 174.121 . 1 210 39 39 LEU CA C 52.799 . 1 211 39 39 LEU CB C 47.271 . 1 212 39 39 LEU CD1 C 26.247 . 1 213 39 39 LEU CD2 C 24.558 . 2 214 39 39 LEU N N 124.692 . 1 215 40 40 ASP H H 8.621 . 1 216 40 40 ASP C C 177.122 . 1 217 40 40 ASP CA C 51.679 . 1 218 40 40 ASP CB C 42.192 . 1 219 40 40 ASP N N 122.134 . 1 220 41 41 GLY H H 9.243 . 1 221 41 41 GLY C C 174.691 . 1 222 41 41 GLY CA C 46.300 . 1 223 41 41 GLY N N 114.928 . 1 224 42 42 THR H H 8.765 . 1 225 42 42 THR C C 175.798 . 1 226 42 42 THR CA C 63.855 . 1 227 42 42 THR CB C 69.009 . 1 228 42 42 THR N N 112.289 . 1 229 43 43 SER H H 7.841 . 1 230 43 43 SER C C 172.730 . 1 231 43 43 SER CA C 57.804 . 1 232 43 43 SER CB C 64.228 . 1 233 43 43 SER N N 114.494 . 1 234 44 44 ALA H H 7.809 . 1 235 44 44 ALA C C 174.071 . 1 236 44 44 ALA CA C 51.081 . 1 237 44 44 ALA CB C 21.201 . 1 238 44 44 ALA N N 125.592 . 1 239 45 45 ASN H H 8.922 . 1 240 45 45 ASN C C 172.820 . 1 241 45 45 ASN CA C 49.960 . 1 242 45 45 ASN CB C 39.876 . 1 243 45 45 ASN N N 118.132 . 1 244 46 46 PRO C C 177.234 . 1 245 47 47 GLY H H 9.002 . 1 246 47 47 GLY C C 174.054 . 1 247 47 47 GLY N N 114.363 . 1 248 48 48 ASP H H 8.329 . 1 249 48 48 ASP C C 175.831 . 1 250 48 48 ASP CA C 55.774 . 1 251 48 48 ASP CB C 41.071 . 1 252 48 48 ASP N N 122.117 . 1 253 49 49 THR H H 8.415 . 1 254 49 49 THR C C 172.962 . 1 255 49 49 THR CA C 59.298 . 1 256 49 49 THR CB C 72.072 . 1 257 49 49 THR N N 110.106 . 1 258 50 50 PHE H H 8.210 . 1 259 50 50 PHE C C 173.937 . 1 260 50 50 PHE CA C 55.638 . 1 261 50 50 PHE CB C 39.353 . 1 262 50 50 PHE N N 115.904 . 1 263 51 51 THR H H 9.271 . 1 264 51 51 THR C C 172.713 . 1 265 51 51 THR CA C 61.016 . 1 266 51 51 THR CB C 72.370 . 1 267 51 51 THR N N 117.011 . 1 268 52 52 LEU H H 9.172 . 1 269 52 52 LEU HD1 H 0.624 . 4 270 52 52 LEU HD2 H 0.160 . 4 271 52 52 LEU C C 174.574 . 1 272 52 52 LEU CA C 52.948 . 1 273 52 52 LEU CB C 44.358 . 1 274 52 52 LEU CD1 C 23.375 . 2 275 52 52 LEU CD2 C 26.287 . 2 276 52 52 LEU N N 126.528 . 1 277 53 53 ASN H H 9.415 . 1 278 53 53 ASN C C 174.993 . 1 279 53 53 ASN CA C 53.471 . 1 280 53 53 ASN CB C 40.399 . 1 281 53 53 ASN N N 126.697 . 1 282 54 54 MET H H 8.399 . 1 283 54 54 MET CA C 51.679 . 1 284 54 54 MET CB C 33.601 . 1 285 54 54 MET N N 122.063 . 1 286 55 55 PRO C C 176.586 . 1 287 56 56 CYS H H 8.170 . 1 288 56 56 CYS C C 173.635 . 1 289 56 56 CYS N N 110.262 . 1 290 57 57 VAL H H 7.325 . 1 291 57 57 VAL HG1 H 0.802 . 4 292 57 57 VAL HG2 H 0.494 . 2 293 57 57 VAL C C 175.613 . 1 294 57 57 VAL CA C 63.332 . 1 295 57 57 VAL CB C 33.527 . 1 296 57 57 VAL CG1 C 23.946 . 2 297 57 57 VAL CG2 C 23.501 . 1 298 57 57 VAL N N 119.382 . 1 299 58 58 PHE H H 8.377 . 1 300 58 58 PHE C C 174.574 . 1 301 58 58 PHE CA C 58.850 . 1 302 58 58 PHE CB C 41.744 . 1 303 58 58 PHE N N 128.408 . 1 304 59 59 LYS H H 7.348 . 1 305 59 59 LYS C C 173.457 . 1 306 59 59 LYS CA C 54.293 . 1 307 59 59 LYS CB C 32.854 . 1 308 59 59 LYS N N 105.453 . 1 309 67 67 VAL HG1 H 0.999 . 2 310 67 67 VAL HG2 H 0.728 . 4 311 67 67 VAL C C 172.043 . 1 312 67 67 VAL CG1 C 21.276 . 1 313 67 67 VAL CG2 C 20.584 . 2 314 68 68 ASP H H 8.277 . 1 315 68 68 ASP C C 175.328 . 1 316 68 68 ASP CA C 52.948 . 1 317 68 68 ASP CB C 42.715 . 1 318 68 68 ASP N N 124.009 . 1 319 69 69 LEU H H 8.303 . 1 320 69 69 LEU HD1 H 0.189 . 2 321 69 69 LEU HD2 H 0.045 . 4 322 69 69 LEU C C 175.144 . 1 323 69 69 LEU CA C 54.069 . 1 324 69 69 LEU CD1 C 21.501 . 2 325 69 69 LEU CB C 36.141 . 1 326 69 69 LEU CD2 C 24.065 . 2 327 69 69 LEU N N 121.813 . 1 328 70 70 THR H H 8.452 . 1 329 70 70 THR C C 173.719 . 1 330 70 70 THR CA C 59.223 . 1 331 70 70 THR CB C 71.026 . 1 332 70 70 THR N N 118.762 . 1 333 71 71 ALA H H 8.831 . 1 334 71 71 ALA C C 177.306 . 1 335 71 71 ALA CA C 52.276 . 1 336 71 71 ALA CB C 21.351 . 1 337 71 71 ALA N N 125.238 . 1 338 72 72 ASP H H 9.415 . 1 339 72 72 ASP C C 175.597 . 1 340 72 72 ASP CA C 55.361 . 1 341 72 72 ASP CB C 39.766 . 1 342 72 72 ASP N N 123.566 . 1 343 73 73 GLY H H 8.548 . 1 344 73 73 GLY C C 173.820 . 1 345 73 73 GLY CA C 45.105 . 1 346 73 73 GLY N N 102.628 . 1 347 74 74 VAL H H 7.854 . 1 348 74 74 VAL HG1 H 0.767 . 2 349 74 74 VAL HG2 H 0.065 . 2 350 74 74 VAL C C 174.071 . 1 351 74 74 VAL CA C 61.240 . 1 352 74 74 VAL CB C 33.078 . 1 353 74 74 VAL CG1 C 20.956 . 1 354 74 74 VAL CG2 C 21.184 . 1 355 74 74 VAL N N 122.955 . 1 356 75 75 LYS H H 8.070 . 1 357 75 75 LYS C C 175.848 . 1 358 75 75 LYS CA C 54.368 . 1 359 75 75 LYS CB C 30.912 . 1 360 75 75 LYS N N 124.580 . 1 361 76 76 TYR H H 8.586 . 1 362 76 76 TYR C C 175.060 . 1 363 76 76 TYR CA C 61.315 . 1 364 76 76 TYR CB C 39.428 . 1 365 76 76 TYR N N 125.404 . 1 366 77 77 ALA H H 7.588 . 1 367 77 77 ALA C C 175.261 . 1 368 77 77 ALA CA C 51.529 . 1 369 77 77 ALA CB C 21.575 . 1 370 77 77 ALA N N 117.075 . 1 371 78 78 THR H H 8.196 . 1 372 78 78 THR C C 173.736 . 1 373 78 78 THR CA C 62.361 . 1 374 78 78 THR CB C 71.250 . 1 375 78 78 THR N N 116.984 . 1 376 79 79 CYS H H 9.149 . 1 377 79 79 CYS C C 172.630 . 1 378 79 79 CYS CA C 54.667 . 1 379 79 79 CYS CB C 48.616 . 1 380 79 79 CYS N N 125.085 . 1 381 80 80 GLN H H 9.079 . 1 382 80 80 GLN C C 175.899 . 1 383 80 80 GLN CA C 54.144 . 1 384 80 80 GLN CB C 30.389 . 1 385 80 80 GLN N N 120.466 . 1 386 82 82 TYR C C 175.965 . 1 387 82 82 TYR CA C 57.206 . 1 388 82 82 TYR CB C 37.784 . 1 389 83 83 SER H H 8.292 . 1 390 83 83 SER C C 172.646 . 1 391 83 83 SER CA C 57.281 . 1 392 83 83 SER CB C 62.883 . 1 393 83 83 SER N N 125.181 . 1 394 84 84 GLY H H 8.674 . 1 395 84 84 GLY C C 173.820 . 1 396 84 84 GLY CA C 47.645 . 1 397 84 84 GLY N N 115.148 . 1 398 85 85 GLU H H 8.732 . 1 399 85 85 GLU C C 174.239 . 1 400 85 85 GLU CA C 55.414 . 1 401 85 85 GLU CB C 29.045 . 1 402 85 85 GLU N N 113.983 . 1 403 86 86 GLU H H 6.771 . 1 404 86 86 GLU C C 176.820 . 1 405 86 86 GLU CA C 54.442 . 1 406 86 86 GLU CB C 27.177 . 1 407 86 86 GLU N N 115.356 . 1 408 87 87 PHE H H 8.986 . 1 409 87 87 PHE C C 177.390 . 1 410 87 87 PHE CA C 59.597 . 1 411 87 87 PHE CB C 38.905 . 1 412 87 87 PHE N N 122.097 . 1 413 88 88 THR H H 7.787 . 1 414 88 88 THR C C 172.764 . 1 415 88 88 THR CA C 58.327 . 1 416 88 88 THR CB C 72.296 . 1 417 88 88 THR N N 107.332 . 1 418 89 89 THR H H 8.425 . 1 419 89 89 THR C C 174.742 . 1 420 89 89 THR CA C 62.510 . 1 421 89 89 THR CB C 68.187 . 1 422 89 89 THR N N 106.331 . 1 423 90 90 PHE H H 6.608 . 1 424 90 90 PHE C C 173.820 . 1 425 90 90 PHE CA C 52.874 . 1 426 90 90 PHE CB C 41.519 . 1 427 90 90 PHE N N 115.162 . 1 428 91 91 SER H H 8.182 . 1 429 91 91 SER C C 171.900 . 1 430 91 91 SER CA C 58.327 . 1 431 91 91 SER CB C 65.274 . 1 432 91 91 SER N N 114.060 . 1 433 93 93 LEU H H 8.634 . 1 434 93 93 LEU HD1 H 0.832 . 2 435 93 93 LEU HD2 H 0.689 . 2 436 93 93 LEU CA C 54.241 . 1 437 93 93 LEU CB C 44.582 . 1 438 93 93 LEU CD1 C 24.674 . 2 439 93 93 LEU CD2 C 28.032 . 2 440 93 93 LEU N N 125.547 . 1 441 94 94 THR H H 8.368 . 1 442 94 94 THR C C 174.507 . 1 443 94 94 THR CA C 61.389 . 1 444 94 94 THR CB C 69.382 . 1 445 94 94 THR N N 121.720 . 1 446 95 95 CYS H H 9.277 . 1 447 95 95 CYS C C 172.663 . 1 448 95 95 CYS CA C 54.667 . 1 449 95 95 CYS CB C 48.765 . 1 450 95 95 CYS N N 126.761 . 1 451 96 96 THR H H 8.337 . 1 452 96 96 THR C C 174.121 . 1 453 96 96 THR CA C 60.867 . 1 454 96 96 THR CB C 70.802 . 1 455 96 96 THR N N 115.856 . 1 456 97 97 VAL H H 8.944 . 1 457 97 97 VAL HG1 H 1.125 . 4 458 97 97 VAL HG2 H 1.026 . 4 459 97 97 VAL C C 176.820 . 1 460 97 97 VAL CA C 63.855 . 1 461 97 97 VAL CB C 31.734 . 1 462 97 97 VAL CG1 C 23.375 . 2 463 97 97 VAL CG2 C 23.772 . 2 464 97 97 VAL N N 126.324 . 1 465 98 98 ASN H H 8.759 . 1 466 98 98 ASN C C 175.144 . 1 467 98 98 ASN CA C 52.799 . 1 468 98 98 ASN CB C 39.503 . 1 469 98 98 ASN N N 128.784 . 1 470 99 99 ASP H H 8.239 . 1 471 99 99 ASP C C 176.183 . 1 472 99 99 ASP CA C 56.011 . 1 473 99 99 ASP CB C 40.100 . 1 474 99 99 ASP N N 116.929 . 1 475 100 100 ALA H H 7.448 . 1 476 100 100 ALA C C 178.681 . 1 477 100 100 ALA CA C 53.023 . 1 478 100 100 ALA CB C 18.960 . 1 479 100 100 ALA N N 117.383 . 1 480 101 101 LEU H H 7.554 . 1 481 101 101 LEU HD1 H 0.682 . 2 482 101 101 LEU HD2 H 0.571 . 4 483 101 101 LEU C C 173.920 . 1 484 101 101 LEU CA C 54.442 . 1 485 101 101 LEU CB C 39.428 . 1 486 101 101 LEU CD1 C 26.837 . 2 487 101 101 LEU CD2 C 24.171 . 2 488 101 101 LEU N N 118.237 . 1 489 102 102 LYS H H 6.743 . 1 490 102 102 LYS C C 177.725 . 1 491 102 102 LYS CA C 54.592 . 1 492 102 102 LYS CB C 33.004 . 1 493 102 102 LYS N N 124.022 . 1 494 103 103 SER H H 8.363 . 1 495 103 103 SER C C 174.691 . 1 496 103 103 SER CA C 60.418 . 1 497 103 103 SER CB C 62.286 . 1 498 103 103 SER N N 113.778 . 1 499 104 104 SER H H 7.304 . 1 500 104 104 SER C C 174.272 . 1 501 104 104 SER CA C 57.356 . 1 502 104 104 SER CB C 62.809 . 1 503 104 104 SER N N 110.274 . 1 504 105 105 ILE H H 7.694 . 1 505 105 105 ILE HD1 H 1.015 . 1 506 105 105 ILE C C 174.323 . 1 507 105 105 ILE CA C 60.194 . 1 508 105 105 ILE CB C 37.859 . 1 509 105 105 ILE CD1 C 12.280 . 1 510 105 105 ILE N N 122.755 . 1 511 106 106 LYS H H 7.926 . 1 512 106 106 LYS C C 174.524 . 1 513 106 106 LYS CA C 55.189 . 1 514 106 106 LYS CB C 33.527 . 1 515 106 106 LYS N N 125.090 . 1 516 107 107 ALA H H 8.656 . 1 517 107 107 ALA C C 174.088 . 1 518 107 107 ALA CA C 50.035 . 1 519 107 107 ALA CB C 21.201 . 1 520 107 107 ALA N N 126.119 . 1 521 108 108 PHE H H 7.444 . 1 522 108 108 PHE C C 173.183 . 1 523 108 108 PHE CA C 54.741 . 1 524 108 108 PHE CB C 40.772 . 1 525 108 108 PHE N N 116.870 . 1 526 109 109 GLY H H 6.464 . 1 527 109 109 GLY C C 172.244 . 1 528 109 109 GLY CA C 44.881 . 1 529 109 109 GLY N N 103.862 . 1 530 110 110 THR H H 8.522 . 1 531 110 110 THR C C 174.591 . 1 532 110 110 THR CA C 59.522 . 1 533 110 110 THR CB C 72.445 . 1 534 110 110 THR N N 109.968 . 1 535 111 111 VAL H H 9.453 . 1 536 111 111 VAL HG1 H 1.103 . 2 537 111 111 VAL HG2 H 1.064 . 4 538 111 111 VAL C C 171.942 . 1 539 111 111 VAL CA C 59.970 . 1 540 111 111 VAL CB C 35.245 . 1 541 111 111 VAL CG1 C 20.182 . 2 542 111 111 VAL CG2 C 22.096 . 2 543 111 111 VAL N N 120.774 . 1 544 112 112 THR H H 8.393 . 1 545 112 112 THR C C 173.283 . 1 546 112 112 THR CA C 61.315 . 1 547 112 112 THR CB C 69.233 . 1 548 112 112 THR N N 122.361 . 1 549 113 113 LEU H H 9.670 . 1 550 113 113 LEU HD1 H 0.967 . 2 551 113 113 LEU HD2 H 0.717 . 2 552 113 113 LEU C C 173.846 . 1 553 113 113 LEU CA C 50.110 . 1 554 113 113 LEU CB C 42.490 . 1 555 113 113 LEU CD1 C 20.805 . 1 556 113 113 LEU CD2 C 26.676 . 1 557 113 113 LEU N N 127.204 . 1 558 114 114 PRO C C 176.485 . 1 559 114 114 PRO CA C 61.165 . 1 560 114 114 PRO CB C 29.792 . 1 561 115 115 ILE H H 9.433 . 1 562 115 115 ILE HD1 H 0.390 . 1 563 115 115 ILE C C 175.194 . 1 564 115 115 ILE CA C 59.671 . 1 565 115 115 ILE CB C 43.536 . 1 566 115 115 ILE CD1 C 14.264 . 1 567 115 115 ILE N N 118.577 . 1 568 116 116 ALA H H 8.135 . 1 569 116 116 ALA C C 177.088 . 1 570 116 116 ALA CA C 51.529 . 1 571 116 116 ALA CB C 20.977 . 1 572 116 116 ALA N N 117.977 . 1 573 117 117 PHE H H 7.938 . 1 574 117 117 PHE C C 173.484 . 1 575 117 117 PHE CA C 58.924 . 1 576 117 117 PHE CB C 37.262 . 1 577 117 117 PHE N N 120.093 . 1 578 118 118 ASN H H 8.979 . 1 579 118 118 ASN C C 173.401 . 1 580 118 118 ASN CA C 51.006 . 1 581 118 118 ASN CB C 38.158 . 1 582 118 118 ASN N N 119.525 . 1 583 119 119 VAL H H 8.190 . 1 584 119 119 VAL HG1 H 0.346 . 4 585 119 119 VAL HG2 H 0.245 . 4 586 119 119 VAL C C 174.775 . 1 587 119 119 VAL CA C 58.850 . 1 588 119 119 VAL CB C 30.165 . 1 589 119 119 VAL CG1 C 23.475 . 2 590 119 119 VAL CG2 C 18.514 . 2 591 119 119 VAL N N 112.532 . 1 592 120 120 GLY H H 8.125 . 1 593 120 120 GLY C C 173.552 . 1 594 120 120 GLY CA C 42.490 . 1 595 120 120 GLY N N 107.270 . 1 596 121 121 GLY H H 8.406 . 1 597 121 121 GLY C C 171.020 . 1 598 121 121 GLY CA C 45.927 . 1 599 121 121 GLY N N 101.894 . 1 600 122 122 THR H H 6.685 . 1 601 122 122 THR C C 174.121 . 1 602 122 122 THR CA C 59.746 . 1 603 122 122 THR CB C 72.744 . 1 604 122 122 THR N N 107.891 . 1 605 123 123 GLY H H 9.600 . 1 606 123 123 GLY C C 173.367 . 1 607 123 123 GLY CA C 43.760 . 1 608 123 123 GLY N N 104.113 . 1 609 124 124 SER H H 8.014 . 1 610 124 124 SER C C 173.484 . 1 611 124 124 SER CA C 56.833 . 1 612 124 124 SER CB C 63.406 . 1 613 124 124 SER N N 116.242 . 1 614 125 125 SER H H 8.907 . 1 615 125 125 SER C C 177.407 . 1 616 125 125 SER CA C 61.464 . 1 617 125 125 SER CB C 63.406 . 1 618 125 125 SER N N 116.836 . 1 619 126 126 THR H H 7.455 . 1 620 126 126 THR C C 175.462 . 1 621 126 126 THR CA C 64.004 . 1 622 126 126 THR CB C 67.739 . 1 623 126 126 THR N N 114.585 . 1 624 127 127 ASP H H 7.508 . 1 625 127 127 ASP C C 178.346 . 1 626 127 127 ASP CA C 56.683 . 1 627 127 127 ASP CB C 38.905 . 1 628 127 127 ASP N N 121.446 . 1 629 128 128 LEU H H 8.628 . 1 630 128 128 LEU HD1 H 0.583 . 2 631 128 128 LEU HD2 H 0.215 . 2 632 128 128 LEU C C 182.033 . 1 633 128 128 LEU CA C 57.430 . 1 634 128 128 LEU CB C 40.175 . 1 635 128 128 LEU CD1 C 26.738 . 1 636 128 128 LEU CD2 C 21.690 . 1 637 128 128 LEU N N 119.071 . 1 638 129 129 GLU H H 7.934 . 1 639 129 129 GLU C C 179.301 . 1 640 129 129 GLU CA C 59.522 . 1 641 129 129 GLU CB C 28.223 . 1 642 129 129 GLU N N 120.770 . 1 643 130 130 ASP H H 7.719 . 1 644 130 130 ASP C C 177.541 . 1 645 130 130 ASP CA C 54.293 . 1 646 130 130 ASP CB C 34.572 . 1 647 130 130 ASP N N 117.050 . 1 648 131 131 SER H H 8.335 . 1 649 131 131 SER C C 176.518 . 1 650 131 131 SER CA C 60.792 . 1 651 131 131 SER CB C 61.912 . 1 652 131 131 SER N N 119.756 . 1 653 132 132 LYS H H 6.876 . 1 654 132 132 LYS C C 177.122 . 1 655 132 132 LYS CA C 55.040 . 1 656 132 132 LYS CB C 31.286 . 1 657 132 132 LYS N N 119.504 . 1 658 133 133 CYS H H 7.879 . 1 659 133 133 CYS C C 174.189 . 1 660 133 133 CYS CA C 63.630 . 1 661 133 133 CYS CB C 47.570 . 1 662 133 133 CYS N N 118.625 . 1 663 134 134 PHE H H 7.554 . 1 664 134 134 PHE C C 174.457 . 1 665 134 134 PHE CA C 54.592 . 1 666 134 134 PHE CB C 43.387 . 1 667 134 134 PHE N N 110.138 . 1 668 135 135 THR H H 8.899 . 1 669 135 135 THR C C 174.507 . 1 670 135 135 THR CA C 59.970 . 1 671 135 135 THR CB C 71.922 . 1 672 135 135 THR N N 111.481 . 1 673 136 136 ALA H H 9.216 . 1 674 136 136 ALA C C 177.625 . 1 675 136 136 ALA CA C 53.546 . 1 676 136 136 ALA CB C 18.138 . 1 677 136 136 ALA N N 124.692 . 1 678 137 137 GLY H H 8.733 . 1 679 137 137 GLY C C 174.557 . 1 680 137 137 GLY CA C 43.760 . 1 681 137 137 GLY N N 110.185 . 1 682 138 138 THR H H 8.673 . 1 683 138 138 THR C C 175.010 . 1 684 138 138 THR CA C 63.630 . 1 685 138 138 THR CB C 67.963 . 1 686 138 138 THR N N 121.943 . 1 687 139 139 ASN H H 9.232 . 1 688 139 139 ASN C C 172.814 . 1 689 139 139 ASN CA C 51.604 . 1 690 139 139 ASN CB C 43.910 . 1 691 139 139 ASN N N 124.687 . 1 692 140 140 THR H H 8.678 . 1 693 140 140 THR C C 173.786 . 1 694 140 140 THR CA C 61.838 . 1 695 140 140 THR CB C 69.308 . 1 696 140 140 THR N N 117.982 . 1 697 141 141 VAL H H 9.098 . 1 698 141 141 VAL HG1 H 0.749 . 2 699 141 141 VAL HG2 H 0.156 . 2 700 141 141 VAL C C 174.390 . 1 701 141 141 VAL CA C 62.136 . 1 702 141 141 VAL CB C 32.331 . 1 703 141 141 VAL CG1 C 21.911 . 1 704 141 141 VAL CG2 C 21.392 . 1 705 141 141 VAL N N 130.996 . 1 706 142 142 THR H H 7.767 . 1 707 142 142 THR C C 174.842 . 1 708 142 142 THR CA C 61.016 . 1 709 142 142 THR CB C 70.652 . 1 710 142 142 THR N N 121.236 . 1 711 143 143 PHE H H 9.254 . 1 712 143 143 PHE C C 174.205 . 1 713 143 143 PHE CA C 51.828 . 1 714 143 143 PHE CB C 40.548 . 1 715 143 143 PHE N N 125.716 . 1 716 144 144 ASN H H 8.587 . 1 717 144 144 ASN C C 173.820 . 1 718 144 144 ASN CA C 54.293 . 1 719 144 144 ASN CB C 42.565 . 1 720 144 144 ASN N N 115.262 . 1 721 145 145 ASP H H 8.929 . 1 722 145 145 ASP C C 177.105 . 1 723 145 145 ASP CA C 52.948 . 1 724 145 145 ASP CB C 42.117 . 1 725 145 145 ASP N N 126.342 . 1 726 146 146 GLY H H 8.745 . 1 727 146 146 GLY C C 174.608 . 1 728 146 146 GLY CA C 45.852 . 1 729 146 146 GLY N N 109.796 . 1 730 147 147 ASP H H 8.621 . 1 731 147 147 ASP C C 175.127 . 1 732 147 147 ASP CA C 54.218 . 1 733 147 147 ASP CB C 41.669 . 1 734 147 147 ASP N N 123.566 . 1 735 148 148 LYS H H 8.490 . 1 736 148 148 LYS C C 175.228 . 1 737 148 148 LYS CA C 55.339 . 1 738 148 148 LYS CB C 33.078 . 1 739 148 148 LYS N N 121.832 . 1 740 149 149 ASP H H 8.349 . 1 741 149 149 ASP C C 176.468 . 1 742 149 149 ASP CA C 53.920 . 1 743 149 149 ASP CB C 41.818 . 1 744 149 149 ASP N N 123.208 . 1 745 150 150 ILE H H 8.959 . 1 746 150 150 ILE HD1 H 0.703 . 1 747 150 150 ILE C C 174.842 . 1 748 150 150 ILE CA C 60.344 . 1 749 150 150 ILE CB C 39.801 . 1 750 150 150 ILE CD1 C 14.354 . 1 751 150 150 ILE N N 119.594 . 1 752 151 151 SER H H 8.434 . 1 753 151 151 SER C C 172.328 . 1 754 151 151 SER CA C 57.057 . 1 755 151 151 SER CB C 67.067 . 1 756 151 151 SER N N 118.360 . 1 757 152 152 ILE H H 8.373 . 1 758 152 152 ILE HD1 H 0.526 . 1 759 152 152 ILE C C 170.769 . 1 760 152 152 ILE CA C 59.896 . 1 761 152 152 ILE CB C 41.445 . 1 762 152 152 ILE CD1 C 14.124 . 1 763 152 152 ILE N N 122.063 . 1 764 153 153 ASP H H 7.580 . 1 765 153 153 ASP C C 175.764 . 1 766 153 153 ASP CA C 52.575 . 1 767 153 153 ASP CB C 40.548 . 1 768 153 153 ASP N N 124.262 . 1 769 154 154 VAL H H 8.687 . 1 770 154 154 VAL HG1 H -0.263 . 4 771 154 154 VAL HG2 H 0.354 . 4 772 154 154 VAL C C 171.523 . 1 773 154 154 VAL CA C 59.149 . 1 774 154 154 VAL CB C 35.469 . 1 775 154 154 VAL CG1 C 19.907 . 2 776 154 154 VAL CG2 C 21.302 . 2 777 154 154 VAL N N 119.670 . 1 778 155 155 GLU H H 7.593 . 1 779 155 155 GLU C C 175.379 . 1 780 155 155 GLU CA C 54.293 . 1 781 155 155 GLU CB C 30.763 . 1 782 155 155 GLU N N 122.827 . 1 783 156 156 PHE H H 8.410 . 1 784 156 156 PHE C C 176.568 . 1 785 156 156 PHE CA C 52.799 . 1 786 156 156 PHE CB C 41.669 . 1 787 156 156 PHE N N 121.618 . 1 788 157 157 GLU H H 8.454 . 1 789 157 157 GLU CA C 55.264 . 1 790 157 157 GLU CB C 31.136 . 1 791 157 157 GLU N N 122.778 . 1 792 158 158 LYS H H 8.345 . 1 793 158 158 LYS C C 173.853 . 1 794 158 158 LYS CA C 55.638 . 1 795 158 158 LYS CB C 32.331 . 1 796 158 158 LYS N N 121.804 . 1 797 159 159 SER H H 6.347 . 1 798 159 159 SER C C 175.714 . 1 799 159 159 SER CA C 57.057 . 1 800 159 159 SER CB C 61.240 . 1 801 159 159 SER N N 110.690 . 1 802 160 160 THR H H 6.146 . 1 803 160 160 THR C C 174.926 . 1 804 160 160 THR CA C 60.941 . 1 805 160 160 THR CB C 67.963 . 1 806 160 160 THR N N 115.607 . 1 807 161 161 VAL H H 8.012 . 1 808 161 161 VAL HG1 H 0.890 . 2 809 161 161 VAL HG2 H 0.610 . 2 810 161 161 VAL C C 175.982 . 1 811 161 161 VAL CA C 62.062 . 1 812 161 161 VAL CB C 31.808 . 1 813 161 161 VAL CG1 C 21.773 . 1 814 161 161 VAL CG2 C 20.921 . 1 815 161 161 VAL N N 124.867 . 1 816 162 162 ASP H H 8.342 . 1 817 162 162 ASP C C 175.439 . 1 818 162 162 ASP CA C 51.529 . 1 819 162 162 ASP CB C 40.997 . 1 820 162 162 ASP N N 129.816 . 1 821 163 163 PRO C C 176.820 . 1 822 163 163 PRO CA C 63.108 . 1 823 163 163 PRO CB C 30.837 . 1 824 164 164 SER H H 8.537 . 1 825 164 164 SER C C 176.468 . 1 826 164 164 SER CA C 59.896 . 1 827 164 164 SER CB C 63.108 . 1 828 164 164 SER N N 115.077 . 1 829 165 165 GLY H H 6.819 . 1 830 165 165 GLY C C 172.626 . 1 831 165 165 GLY CA C 44.209 . 1 832 165 165 GLY N N 109.527 . 1 833 166 166 TYR H H 6.248 . 1 834 166 166 TYR C C 175.670 . 1 835 166 166 TYR CA C 55.264 . 1 836 166 166 TYR CB C 37.934 . 1 837 166 166 TYR N N 110.742 . 1 838 167 167 LEU H H 8.469 . 1 839 167 167 LEU HD1 H 0.687 . 2 840 167 167 LEU HD2 H 0.500 . 2 841 167 167 LEU C C 176.003 . 1 842 167 167 LEU CA C 53.023 . 1 843 167 167 LEU CB C 44.731 . 1 844 167 167 LEU CD1 C 26.837 . 1 845 167 167 LEU CD2 C 23.522 . 1 846 167 167 LEU N N 118.761 . 1 847 168 168 TYR H H 7.480 . 1 848 168 168 TYR C C 175.287 . 1 849 168 168 TYR CA C 54.368 . 1 850 168 168 TYR CB C 39.503 . 1 851 168 168 TYR N N 114.871 . 1 852 169 169 ALA H H 8.124 . 1 853 169 169 ALA C C 175.919 . 1 854 169 169 ALA CA C 52.948 . 1 855 169 169 ALA CB C 23.666 . 1 856 169 169 ALA N N 119.048 . 1 857 170 170 SER H H 8.830 . 1 858 170 170 SER C C 172.426 . 1 859 170 170 SER CA C 57.729 . 1 860 170 170 SER CB C 68.785 . 1 861 170 170 SER N N 114.911 . 1 862 171 171 ARG H H 8.779 . 1 863 171 171 ARG C C 174.090 . 1 864 171 171 ARG CA C 54.517 . 1 865 171 171 ARG CB C 33.377 . 1 866 171 171 ARG N N 124.236 . 1 867 172 172 VAL H H 9.263 . 1 868 172 172 VAL HG1 H 0.923 . 2 869 172 172 VAL HG2 H 0.777 . 2 870 172 172 VAL C C 176.552 . 1 871 172 172 VAL CA C 63.257 . 1 872 172 172 VAL CB C 32.929 . 1 873 172 172 VAL CG1 C 22.745 . 1 874 172 172 VAL CG2 C 20.828 . 1 875 172 172 VAL N N 126.174 . 1 876 173 173 MET H H 8.779 . 1 877 173 173 MET CA C 52.575 . 1 878 173 173 MET CB C 30.763 . 1 879 173 173 MET N N 127.575 . 1 880 174 174 PRO C C 179.213 . 1 881 174 174 PRO CA C 64.900 . 1 882 174 174 PRO CB C 31.808 . 1 883 175 175 SER H H 10.737 . 1 884 175 175 SER C C 175.986 . 1 885 175 175 SER CA C 61.389 . 1 886 175 175 SER N N 116.819 . 1 887 176 176 LEU H H 6.934 . 1 888 176 176 LEU HD1 H 0.946 . 2 889 176 176 LEU HD2 H 0.871 . 2 890 176 176 LEU C C 177.167 . 1 891 176 176 LEU CA C 54.069 . 1 892 176 176 LEU CB C 44.059 . 1 893 176 176 LEU CD1 C 22.948 . 1 894 176 176 LEU CD2 C 26.049 . 1 895 176 176 LEU N N 118.197 . 1 896 177 177 ASN H H 8.092 . 1 897 177 177 ASN C C 173.740 . 1 898 177 177 ASN CA C 54.293 . 1 899 177 177 ASN CB C 37.486 . 1 900 177 177 ASN N N 116.808 . 1 901 178 178 LYS H H 6.945 . 1 902 178 178 LYS C C 173.241 . 1 903 178 178 LYS CA C 54.368 . 1 904 178 178 LYS CB C 37.859 . 1 905 178 178 LYS N N 112.806 . 1 906 179 179 VAL H H 8.435 . 1 907 179 179 VAL HG1 H 0.656 . 2 908 179 179 VAL HG2 H 0.651 . 2 909 179 179 VAL C C 176.352 . 1 910 179 179 VAL CA C 59.522 . 1 911 179 179 VAL CB C 35.170 . 1 912 179 179 VAL CG1 C 21.813 . 1 913 179 179 VAL CG2 C 21.199 . 1 914 179 179 VAL N N 120.920 . 1 915 180 180 THR H H 9.022 . 1 916 180 180 THR C C 173.890 . 1 917 180 180 THR CA C 59.896 . 1 918 180 180 THR CB C 69.009 . 1 919 180 180 THR N N 116.316 . 1 920 181 181 THR H H 8.848 . 1 921 181 181 THR C C 169.676 . 1 922 181 181 THR CA C 59.821 . 1 923 181 181 THR CB C 71.847 . 1 924 181 181 THR N N 120.630 . 1 925 182 182 LEU H H 8.523 . 1 926 182 182 LEU HD1 H 0.948 . 2 927 182 182 LEU HD2 H 0.904 . 4 928 182 182 LEU HG H 0.904 . 1 929 182 182 LEU C C 176.468 . 1 930 182 182 LEU CA C 53.845 . 1 931 182 182 LEU CB C 45.777 . 1 932 182 182 LEU CD1 C 23.129 . 1 933 182 182 LEU CD2 C 26.317 . 2 934 182 182 LEU CG C 26.318 . 1 935 182 182 LEU N N 127.146 . 1 936 183 183 PHE H H 9.955 . 1 937 183 183 PHE C C 172.676 . 1 938 183 183 PHE CA C 54.144 . 1 939 183 183 PHE CB C 42.266 . 1 940 183 183 PHE N N 128.698 . 1 941 184 184 VAL H H 9.274 . 1 942 184 184 VAL HG1 H 0.811 . 4 943 184 184 VAL HG2 H 1.007 . 2 944 184 184 VAL C C 174.539 . 1 945 184 184 VAL CA C 60.194 . 1 946 184 184 VAL CB C 33.751 . 1 947 184 184 VAL CG1 C 19.514 . 2 948 184 184 VAL CG2 C 21.124 . 1 949 184 184 VAL N N 127.701 . 1 950 185 185 ALA H H 7.577 . 1 951 185 185 ALA CA C 51.380 . 1 952 185 185 ALA CB C 17.167 . 1 953 185 185 ALA N N 126.527 . 1 954 186 186 PRO C C 175.487 . 1 955 186 186 PRO CA C 62.361 . 1 956 186 186 PRO CB C 31.360 . 1 957 187 187 GLN H H 7.902 . 1 958 187 187 GLN C C 174.921 . 1 959 187 187 GLN CA C 57.206 . 1 960 187 187 GLN CB C 30.314 . 1 961 187 187 GLN N N 121.926 . 1 962 188 188 CYS H H 6.753 . 1 963 188 188 CYS CA C 51.977 . 1 964 188 188 CYS CB C 35.842 . 1 965 188 188 CYS N N 124.766 . 1 966 189 189 GLU C C 176.502 . 1 967 190 190 ASN H H 8.785 . 1 968 190 190 ASN C C 174.805 . 1 969 190 190 ASN CA C 52.500 . 1 970 190 190 ASN CB C 38.307 . 1 971 190 190 ASN N N 113.527 . 1 972 191 191 GLY H H 7.211 . 1 973 191 191 GLY C C 172.459 . 1 974 191 191 GLY CA C 43.312 . 1 975 191 191 GLY N N 105.634 . 1 976 192 192 TYR H H 9.326 . 1 977 192 192 TYR C C 176.518 . 1 978 192 192 TYR CA C 56.161 . 1 979 192 192 TYR CB C 39.204 . 1 980 192 192 TYR N N 116.790 . 1 981 193 193 THR H H 9.045 . 1 982 193 193 THR C C 176.102 . 1 983 193 193 THR CA C 65.498 . 1 984 193 193 THR CB C 68.561 . 1 985 193 193 THR N N 121.869 . 1 986 194 194 SER H H 7.778 . 1 987 194 194 SER C C 171.544 . 1 988 194 194 SER CA C 56.908 . 1 989 194 194 SER CB C 64.303 . 1 990 194 194 SER N N 111.472 . 1 991 195 195 GLY H H 7.162 . 1 992 195 195 GLY C C 171.877 . 1 993 195 195 GLY CA C 46.076 . 1 994 195 195 GLY N N 105.647 . 1 995 196 196 THR H H 8.959 . 1 996 196 196 THR C C 172.609 . 1 997 196 196 THR CA C 61.315 . 1 998 196 196 THR CB C 70.951 . 1 999 196 196 THR N N 116.708 . 1 1000 197 197 MET H H 9.026 . 1 1001 197 197 MET C C 174.472 . 1 1002 197 197 MET CA C 53.247 . 1 1003 197 197 MET CB C 36.216 . 1 1004 197 197 MET N N 120.043 . 1 1005 198 198 GLY H H 8.505 . 1 1006 198 198 GLY C C 171.045 . 1 1007 198 198 GLY CA C 46.225 . 1 1008 198 198 GLY N N 107.224 . 1 1009 199 199 PHE H H 7.714 . 1 1010 199 199 PHE C C 174.655 . 1 1011 199 199 PHE CA C 54.741 . 1 1012 199 199 PHE CB C 39.727 . 1 1013 199 199 PHE N N 112.689 . 1 1014 200 200 SER H H 9.033 . 1 1015 200 200 SER C C 173.025 . 1 1016 200 200 SER CA C 56.609 . 1 1017 200 200 SER CB C 66.320 . 1 1018 200 200 SER N N 111.980 . 1 1019 201 201 SER H H 8.514 . 1 1020 201 201 SER C C 175.537 . 1 1021 201 201 SER CA C 56.683 . 1 1022 201 201 SER CB C 63.929 . 1 1023 201 201 SER N N 113.529 . 1 1024 202 202 SER H H 8.259 . 1 1025 202 202 SER C C 175.121 . 1 1026 202 202 SER CA C 59.597 . 1 1027 202 202 SER CB C 63.108 . 1 1028 202 202 SER N N 122.312 . 1 1029 203 203 ASN H H 8.344 . 1 1030 203 203 ASN C C 176.053 . 1 1031 203 203 ASN CA C 52.874 . 1 1032 203 203 ASN CB C 39.129 . 1 1033 203 203 ASN N N 116.870 . 1 1034 204 204 GLY H H 8.082 . 1 1035 204 204 GLY C C 174.156 . 1 1036 204 204 GLY CA C 46.001 . 1 1037 204 204 GLY N N 108.125 . 1 1038 205 205 ASP H H 8.652 . 1 1039 205 205 ASP C C 174.938 . 1 1040 205 205 ASP CA C 54.293 . 1 1041 205 205 ASP CB C 40.399 . 1 1042 205 205 ASP N N 117.822 . 1 1043 206 206 VAL H H 7.347 . 1 1044 206 206 VAL HG1 H 0.896 . 2 1045 206 206 VAL HG2 H 0.746 . 2 1046 206 206 VAL C C 173.724 . 1 1047 206 206 VAL CA C 60.792 . 1 1048 206 206 VAL CB C 33.751 . 1 1049 206 206 VAL CG1 C 22.290 . 1 1050 206 206 VAL CG2 C 21.931 . 1 1051 206 206 VAL N N 117.578 . 1 1052 207 207 ALA H H 8.562 . 1 1053 207 207 ALA C C 176.718 . 1 1054 207 207 ALA CA C 50.035 . 1 1055 207 207 ALA CB C 21.052 . 1 1056 207 207 ALA N N 127.121 . 1 1057 208 208 ILE H H 9.502 . 1 1058 208 208 ILE HD1 H 0.699 . 1 1059 208 208 ILE C C 175.254 . 1 1060 208 208 ILE CA C 61.091 . 1 1061 208 208 ILE CB C 37.262 . 1 1062 208 208 ILE CD1 C 12.837 . 1 1063 208 208 ILE N N 127.113 . 1 1064 209 209 ASP H H 8.478 . 1 1065 209 209 ASP C C 176.003 . 1 1066 209 209 ASP CA C 51.529 . 1 1067 209 209 ASP CB C 40.100 . 1 1068 209 209 ASP N N 126.037 . 1 1069 210 210 CYS H H 8.125 . 1 1070 210 210 CYS C C 174.605 . 1 1071 210 210 CYS CA C 56.982 . 1 1072 210 210 CYS CB C 39.876 . 1 1073 210 210 CYS N N 120.953 . 1 1074 211 211 SER H H 8.234 . 1 1075 211 211 SER C C 173.640 . 1 1076 211 211 SER CA C 59.074 . 1 1077 211 211 SER CB C 62.809 . 1 1078 211 211 SER N N 114.727 . 1 1079 212 212 ASN H H 7.483 . 1 1080 212 212 ASN C C 172.443 . 1 1081 212 212 ASN CA C 52.948 . 1 1082 212 212 ASN CB C 39.353 . 1 1083 212 212 ASN N N 124.859 . 1 1084 213 213 ILE H H 6.901 . 1 1085 213 213 ILE HD1 H 0.698 . 1 1086 213 213 ILE C C 175.853 . 1 1087 213 213 ILE CA C 58.327 . 1 1088 213 213 ILE CB C 41.519 . 1 1089 213 213 ILE CD1 C 12.546 . 1 1090 213 213 ILE N N 112.437 . 1 1091 214 214 HIS H H 8.467 . 1 1092 214 214 HIS C C 171.960 . 1 1093 214 214 HIS CA C 56.758 . 1 1094 214 214 HIS CB C 29.642 . 1 1095 214 214 HIS N N 116.912 . 1 1096 215 215 ILE H H 7.885 . 1 1097 215 215 ILE HD1 H 0.591 . 1 1098 215 215 ILE C C 174.988 . 1 1099 215 215 ILE CA C 59.746 . 1 1100 215 215 ILE CB C 40.399 . 1 1101 215 215 ILE CD1 C 15.148 . 1 1102 215 215 ILE N N 120.870 . 1 1103 216 216 GLY H H 7.414 . 1 1104 216 216 GLY C C 170.114 . 1 1105 216 216 GLY CA C 45.329 . 1 1106 216 216 GLY N N 112.520 . 1 1107 217 217 ILE H H 7.863 . 1 1108 217 217 ILE HD1 H 0.082 . 1 1109 217 217 ILE C C 175.903 . 1 1110 217 217 ILE CA C 58.177 . 1 1111 217 217 ILE CB C 39.353 . 1 1112 217 217 ILE CD1 C 12.089 . 1 1113 217 217 ILE N N 107.557 . 1 1114 218 218 THR H H 8.545 . 1 1115 218 218 THR C C 173.541 . 1 1116 218 218 THR CA C 56.778 . 1 1117 218 218 THR CB C 70.129 . 1 1118 218 218 THR N N 115.556 . 1 1119 219 219 LYS H H 7.960 . 1 1120 219 219 LYS C C 174.971 . 1 1121 219 219 LYS CA C 54.218 . 1 1122 219 219 LYS CB C 29.792 . 1 1123 219 219 LYS N N 134.124 . 1 1124 220 220 GLY H H 7.244 . 1 1125 220 220 GLY C C 171.245 . 1 1126 220 220 GLY CA C 43.312 . 1 1127 220 220 GLY N N 108.956 . 1 1128 221 221 LEU H H 7.849 . 1 1129 221 221 LEU HD1 H 0.363 . 4 1130 221 221 LEU HD2 H 0.514 . 4 1131 221 221 LEU C C 176.968 . 1 1132 221 221 LEU CA C 52.426 . 1 1133 221 221 LEU CB C 46.001 . 1 1134 221 221 LEU CD1 C 22.964 . 2 1135 221 221 LEU CD2 C 27.138 . 2 1136 221 221 LEU N N 116.591 . 1 1137 222 222 ASN H H 8.132 . 1 1138 222 222 ASN C C 172.267 . 1 1139 222 222 ASN CA C 50.259 . 1 1140 222 222 ASN CB C 37.336 . 1 1141 222 222 ASN N N 118.287 . 1 1142 223 223 ASP H H 8.023 . 1 1143 223 223 ASP C C 174.256 . 1 1144 223 223 ASP CA C 56.683 . 1 1145 223 223 ASP CB C 38.830 . 1 1146 223 223 ASP N N 116.049 . 1 1147 224 224 TRP H H 7.166 . 1 1148 224 224 TRP HE1 H 11.465 . 1 1149 224 224 TRP C C 171.794 . 1 1150 224 224 TRP CA C 59.746 . 1 1151 224 224 TRP CB C 26.579 . 1 1152 224 224 TRP N N 117.218 . 1 1153 224 224 TRP NE1 N 132.131 . 1 1154 225 225 ASN H H 7.768 . 1 1155 225 225 ASN C C 172.859 . 1 1156 225 225 ASN CA C 53.621 . 1 1157 225 225 ASN CB C 34.647 . 1 1158 225 225 ASN N N 110.576 . 1 1159 226 226 TYR H H 7.373 . 1 1160 226 226 TYR CA C 52.724 . 1 1161 226 226 TYR CB C 36.664 . 1 1162 226 226 TYR N N 113.553 . 1 1163 227 227 PRO C C 174.522 . 1 1164 227 227 PRO CA C 62.958 . 1 1165 227 227 PRO CB C 32.257 . 1 1166 228 228 VAL H H 6.955 . 1 1167 228 228 VAL HG1 H 0.453 . 4 1168 228 228 VAL HG2 H 0.738 . 4 1169 228 228 VAL C C 175.820 . 1 1170 228 228 VAL CA C 59.298 . 1 1171 228 228 VAL CB C 32.257 . 1 1172 228 228 VAL CG1 C 17.141 . 2 1173 228 228 VAL CG2 C 21.199 . 2 1174 228 228 VAL N N 109.699 . 1 1175 229 229 SER H H 8.280 . 1 1176 229 229 SER C C 170.896 . 1 1177 229 229 SER CA C 57.247 . 1 1178 229 229 SER CB C 65.349 . 1 1179 229 229 SER N N 118.669 . 1 1180 230 230 SER H H 8.347 . 1 1181 230 230 SER C C 174.223 . 1 1182 230 230 SER CA C 57.206 . 1 1183 230 230 SER CB C 63.108 . 1 1184 230 230 SER N N 109.526 . 1 1185 231 231 GLU H H 8.891 . 1 1186 231 231 GLU C C 175.770 . 1 1187 231 231 GLU CA C 54.368 . 1 1188 231 231 GLU CB C 31.734 . 1 1189 231 231 GLU N N 126.437 . 1 1190 232 232 SER H H 8.402 . 1 1191 232 232 SER C C 172.859 . 1 1192 232 232 SER CA C 58.327 . 1 1193 232 232 SER CB C 63.257 . 1 1194 232 232 SER N N 113.776 . 1 1195 233 233 PHE H H 7.664 . 1 1196 233 233 PHE C C 172.892 . 1 1197 233 233 PHE CA C 55.264 . 1 1198 233 233 PHE CB C 36.440 . 1 1199 233 233 PHE N N 115.896 . 1 1200 234 234 SER H H 9.247 . 1 1201 234 234 SER C C 172.077 . 1 1202 234 234 SER CA C 58.177 . 1 1203 234 234 SER CB C 62.286 . 1 1204 234 234 SER N N 115.517 . 1 1205 235 235 TYR H H 6.988 . 1 1206 235 235 TYR C C 174.422 . 1 1207 235 235 TYR CA C 55.787 . 1 1208 235 235 TYR CB C 40.399 . 1 1209 235 235 TYR N N 120.144 . 1 1210 236 236 THR H H 8.929 . 1 1211 236 236 THR C C 173.807 . 1 1212 236 236 THR CA C 60.418 . 1 1213 236 236 THR CB C 70.578 . 1 1214 236 236 THR N N 112.376 . 1 1215 237 237 LYS H H 9.015 . 1 1216 237 237 LYS C C 175.005 . 1 1217 237 237 LYS CA C 54.144 . 1 1218 237 237 LYS CB C 36.440 . 1 1219 237 237 LYS N N 122.966 . 1 1220 238 238 THR H H 8.839 . 1 1221 238 238 THR CA C 61.165 . 1 1222 238 238 THR CB C 70.727 . 1 1223 238 238 THR N N 117.319 . 1 1224 239 239 CYS C C 173.008 . 1 1225 239 239 CYS CA C 57.879 . 1 1226 239 239 CYS CB C 40.175 . 1 1227 240 240 THR H H 9.361 . 1 1228 240 240 THR C C 173.690 . 1 1229 240 240 THR CA C 60.418 . 1 1230 240 240 THR CB C 72.520 . 1 1231 240 240 THR N N 122.619 . 1 1232 241 241 SER H H 8.618 . 1 1233 241 241 SER C C 175.504 . 1 1234 241 241 SER CA C 60.344 . 1 1235 241 241 SER CB C 62.435 . 1 1236 241 241 SER N N 111.710 . 1 1237 242 242 ASN H H 7.861 . 1 1238 242 242 ASN C C 175.271 . 1 1239 242 242 ASN CA C 53.546 . 1 1240 242 242 ASN CB C 40.175 . 1 1241 242 242 ASN N N 114.348 . 1 1242 243 243 GLY H H 7.684 . 1 1243 243 243 GLY C C 169.881 . 1 1244 243 243 GLY CA C 47.421 . 1 1245 243 243 GLY N N 107.116 . 1 1246 244 244 ILE H H 8.420 . 1 1247 244 244 ILE HD1 H 0.721 . 1 1248 244 244 ILE C C 172.892 . 1 1249 244 244 ILE CA C 57.057 . 1 1250 244 244 ILE CB C 40.548 . 1 1251 244 244 ILE CD1 C 14.169 . 1 1252 244 244 ILE N N 119.180 . 1 1253 245 245 GLN H H 8.613 . 1 1254 245 245 GLN C C 174.406 . 1 1255 245 245 GLN CA C 54.667 . 1 1256 245 245 GLN CB C 33.153 . 1 1257 245 245 GLN N N 125.402 . 1 1258 246 246 ILE H H 9.301 . 1 1259 246 246 ILE HD1 H 0.581 . 1 1260 246 246 ILE C C 174.356 . 1 1261 246 246 ILE CA C 58.327 . 1 1262 246 246 ILE CB C 40.922 . 1 1263 246 246 ILE CD1 C 13.872 . 1 1264 246 246 ILE N N 118.061 . 1 1265 247 247 LYS H H 8.325 . 1 1266 247 247 LYS C C 176.086 . 1 1267 247 247 LYS CA C 55.638 . 1 1268 247 247 LYS CB C 33.452 . 1 1269 247 247 LYS N N 122.178 . 1 1270 248 248 TYR H H 8.746 . 1 1271 248 248 TYR C C 174.555 . 1 1272 248 248 TYR CA C 55.264 . 1 1273 248 248 TYR CB C 43.312 . 1 1274 248 248 TYR N N 120.442 . 1 1275 249 249 GLN H H 8.227 . 1 1276 249 249 GLN C C 173.857 . 1 1277 249 249 GLN CA C 54.293 . 1 1278 249 249 GLN CB C 31.958 . 1 1279 249 249 GLN N N 114.414 . 1 1280 250 250 ASN H H 7.934 . 1 1281 250 250 ASN C C 174.822 . 1 1282 250 250 ASN CA C 54.368 . 1 1283 250 250 ASN CB C 36.888 . 1 1284 250 250 ASN N N 115.807 . 1 1285 251 251 VAL H H 8.353 . 1 1286 251 251 VAL HG1 H 0.676 . 2 1287 251 251 VAL HG2 H 0.213 . 2 1288 251 251 VAL CA C 59.597 . 1 1289 251 251 VAL CB C 33.527 . 1 1290 251 251 VAL CG1 C 22.496 . 1 1291 251 251 VAL CG2 C 21.681 . 1 1292 251 251 VAL N N 121.208 . 1 1293 252 252 PRO C C 174.988 . 1 1294 252 252 PRO CA C 62.286 . 1 1295 252 252 PRO CB C 31.808 . 1 1296 253 253 ALA H H 8.140 . 1 1297 253 253 ALA C C 178.365 . 1 1298 253 253 ALA CA C 53.173 . 1 1299 253 253 ALA CB C 18.512 . 1 1300 253 253 ALA N N 119.605 . 1 1301 254 254 GLY H H 8.334 . 1 1302 254 254 GLY C C 173.757 . 1 1303 254 254 GLY CA C 44.657 . 1 1304 254 254 GLY N N 109.556 . 1 1305 255 255 TYR H H 7.640 . 1 1306 255 255 TYR C C 176.552 . 1 1307 255 255 TYR CA C 56.683 . 1 1308 255 255 TYR CB C 41.445 . 1 1309 255 255 TYR N N 118.080 . 1 1310 256 256 ARG H H 8.417 . 1 1311 256 256 ARG CA C 50.932 . 1 1312 256 256 ARG CB C 31.510 . 1 1313 256 256 ARG N N 115.326 . 1 1314 257 257 PRO C C 174.323 . 1 1315 257 257 PRO CA C 61.389 . 1 1316 257 257 PRO CB C 30.613 . 1 1317 258 258 PHE H H 8.917 . 1 1318 258 258 PHE C C 171.378 . 1 1319 258 258 PHE CA C 55.638 . 1 1320 258 258 PHE CB C 43.536 . 1 1321 258 258 PHE N N 118.629 . 1 1322 259 259 ILE H H 8.829 . 1 1323 259 259 ILE HD1 H 0.730 . 1 1324 259 259 ILE C C 174.905 . 1 1325 259 259 ILE CA C 58.476 . 1 1326 259 259 ILE CB C 43.163 . 1 1327 259 259 ILE CD1 C 15.884 . 1 1328 259 259 ILE N N 112.692 . 1 1329 260 260 ASP H H 9.360 . 1 1330 260 260 ASP C C 174.273 . 1 1331 260 260 ASP CA C 53.920 . 1 1332 260 260 ASP CB C 46.225 . 1 1333 260 260 ASP N N 120.192 . 1 1334 261 261 ALA H H 8.803 . 1 1335 261 261 ALA C C 177.317 . 1 1336 261 261 ALA CA C 51.529 . 1 1337 261 261 ALA CB C 23.965 . 1 1338 261 261 ALA N N 115.849 . 1 1339 262 262 TYR H H 7.367 . 1 1340 262 262 TYR C C 175.319 . 1 1341 262 262 TYR CA C 54.667 . 1 1342 262 262 TYR CB C 37.635 . 1 1343 262 262 TYR N N 119.405 . 1 1344 263 263 ILE H H 9.386 . 1 1345 263 263 ILE HD1 H 0.018 . 1 1346 263 263 ILE C C 174.955 . 1 1347 263 263 ILE CA C 58.327 . 1 1348 263 263 ILE CB C 40.100 . 1 1349 263 263 ILE CD1 C 12.476 . 1 1350 263 263 ILE N N 114.899 . 1 1351 264 264 SER H H 8.676 . 1 1352 264 264 SER C C 172.609 . 1 1353 264 264 SER CA C 56.086 . 1 1354 264 264 SER CB C 64.079 . 1 1355 264 264 SER N N 116.510 . 1 1356 265 265 ALA H H 8.312 . 1 1357 265 265 ALA C C 176.901 . 1 1358 265 265 ALA CA C 50.110 . 1 1359 265 265 ALA CB C 21.276 . 1 1360 265 265 ALA N N 125.630 . 1 1361 266 266 THR H H 8.242 . 1 1362 266 266 THR C C 174.838 . 1 1363 266 266 THR CA C 65.722 . 1 1364 266 266 THR CB C 67.739 . 1 1365 266 266 THR N N 118.485 . 1 1366 267 267 ASP H H 8.617 . 1 1367 267 267 ASP C C 176.868 . 1 1368 267 267 ASP CA C 52.948 . 1 1369 267 267 ASP CB C 41.669 . 1 1370 267 267 ASP N N 119.720 . 1 1371 268 268 VAL H H 8.176 . 1 1372 268 268 VAL HG1 H 0.777 . 2 1373 268 268 VAL HG2 H 0.764 . 2 1374 268 268 VAL C C 173.474 . 1 1375 268 268 VAL CA C 63.481 . 1 1376 268 268 VAL CB C 31.061 . 1 1377 268 268 VAL CG1 C 21.390 . 1 1378 268 268 VAL CG2 C 18.617 . 2 1379 268 268 VAL N N 119.309 . 1 1380 269 269 ASN H H 8.190 . 1 1381 269 269 ASN C C 175.803 . 1 1382 269 269 ASN CA C 52.724 . 1 1383 269 269 ASN CB C 39.428 . 1 1384 269 269 ASN N N 111.375 . 1 1385 270 270 GLN H H 7.889 . 1 1386 270 270 GLN C C 172.326 . 1 1387 270 270 GLN CA C 56.235 . 1 1388 270 270 GLN CB C 29.642 . 1 1389 270 270 GLN N N 119.837 . 1 1390 271 271 TYR H H 8.206 . 1 1391 271 271 TYR C C 173.158 . 1 1392 271 271 TYR CA C 56.908 . 1 1393 271 271 TYR CB C 39.129 . 1 1394 271 271 TYR N N 122.172 . 1 1395 272 272 THR H H 8.547 . 1 1396 272 272 THR C C 174.639 . 1 1397 272 272 THR CA C 61.016 . 1 1398 272 272 THR CB C 70.578 . 1 1399 272 272 THR N N 116.636 . 1 1400 273 273 LEU H H 8.792 . 1 1401 273 273 LEU HD1 H 0.778 . 2 1402 273 273 LEU HD2 H 0.509 . 2 1403 273 273 LEU C C 173.341 . 1 1404 273 273 LEU CA C 53.546 . 1 1405 273 273 LEU CB C 46.823 . 1 1406 273 273 LEU CD1 C 23.580 . 1 1407 273 273 LEU CD2 C 25.856 . 1 1408 273 273 LEU N N 124.432 . 1 1409 274 274 ALA H H 8.610 . 1 1410 274 274 ALA C C 176.884 . 1 1411 274 274 ALA CA C 50.409 . 1 1412 274 274 ALA CB C 19.857 . 1 1413 274 274 ALA N N 123.566 . 1 1414 275 275 TYR H H 9.156 . 1 1415 275 275 TYR C C 176.818 . 1 1416 275 275 TYR CA C 57.281 . 1 1417 275 275 TYR CB C 38.009 . 1 1418 275 275 TYR N N 121.615 . 1 1419 276 276 THR H H 8.561 . 1 1420 276 276 THR C C 173.158 . 1 1421 276 276 THR CA C 62.435 . 1 1422 276 276 THR CB C 69.606 . 1 1423 276 276 THR N N 121.451 . 1 1424 277 277 ASN H H 9.781 . 1 1425 277 277 ASN C C 171.345 . 1 1426 277 277 ASN CA C 52.351 . 1 1427 277 277 ASN CB C 39.727 . 1 1428 277 277 ASN N N 128.473 . 1 1429 278 278 ASP H H 8.776 . 1 1430 278 278 ASP C C 176.635 . 1 1431 278 278 ASP CA C 52.799 . 1 1432 278 278 ASP CB C 41.146 . 1 1433 278 278 ASP N N 123.122 . 1 1434 279 279 TYR H H 8.723 . 1 1435 279 279 TYR C C 174.140 . 1 1436 279 279 TYR CA C 57.057 . 1 1437 279 279 TYR CB C 38.980 . 1 1438 279 279 TYR N N 121.393 . 1 1439 280 280 THR H H 9.212 . 1 1440 280 280 THR C C 174.688 . 1 1441 280 280 THR CA C 60.867 . 1 1442 280 280 THR CB C 69.233 . 1 1443 280 280 THR N N 119.985 . 1 1444 281 281 CYS H H 9.208 . 1 1445 281 281 CYS C C 175.271 . 1 1446 281 281 CYS CA C 51.679 . 1 1447 281 281 CYS CB C 31.883 . 1 1448 281 281 CYS N N 125.680 . 1 1449 282 282 ALA H H 8.379 . 1 1450 282 282 ALA C C 179.363 . 1 1451 282 282 ALA CA C 53.770 . 1 1452 282 282 ALA CB C 16.794 . 1 1453 282 282 ALA N N 124.978 . 1 1454 283 283 GLY H H 8.661 . 1 1455 283 283 GLY C C 174.273 . 1 1456 283 283 GLY CA C 45.362 . 1 1457 283 283 GLY N N 112.928 . 1 1458 284 284 SER H H 8.175 . 1 1459 284 284 SER C C 173.058 . 1 1460 284 284 SER CA C 56.385 . 1 1461 284 284 SER CB C 64.975 . 1 1462 284 284 SER N N 115.686 . 1 1463 285 285 ARG H H 8.149 . 1 1464 285 285 ARG C C 177.184 . 1 1465 285 285 ARG CA C 55.040 . 1 1466 285 285 ARG CB C 30.389 . 1 1467 285 285 ARG N N 118.723 . 1 1468 286 286 SER H H 8.573 . 1 1469 286 286 SER C C 173.591 . 1 1470 286 286 SER CA C 59.373 . 1 1471 286 286 SER CB C 62.958 . 1 1472 286 286 SER N N 118.672 . 1 1473 287 287 GLN H H 8.285 . 1 1474 287 287 GLN C C 175.404 . 1 1475 287 287 GLN CA C 54.144 . 1 1476 287 287 GLN CB C 31.211 . 1 1477 287 287 GLN N N 121.370 . 1 1478 288 288 SER H H 8.489 . 1 1479 288 288 SER C C 174.422 . 1 1480 288 288 SER CA C 57.057 . 1 1481 288 288 SER CB C 62.809 . 1 1482 288 288 SER N N 117.904 . 1 1483 289 289 LYS H H 8.694 . 1 1484 289 289 LYS CA C 53.098 . 1 1485 289 289 LYS CB C 33.452 . 1 1486 289 289 LYS N N 126.618 . 1 1487 290 290 PRO C C 176.535 . 1 1488 290 290 PRO CA C 63.556 . 1 1489 290 290 PRO CB C 32.257 . 1 1490 291 291 PHE H H 7.388 . 1 1491 291 291 PHE C C 172.559 . 1 1492 291 291 PHE CA C 56.310 . 1 1493 291 291 PHE CB C 39.278 . 1 1494 291 291 PHE N N 112.937 . 1 1495 292 292 THR H H 8.492 . 1 1496 292 292 THR C C 173.524 . 1 1497 292 292 THR CA C 61.091 . 1 1498 292 292 THR CB C 71.325 . 1 1499 292 292 THR N N 115.335 . 1 1500 293 293 LEU H H 8.987 . 1 1501 293 293 LEU HD1 H 0.373 . 4 1502 293 293 LEU HD2 H -0.372 . 4 1503 293 293 LEU C C 174.622 . 1 1504 293 293 LEU CA C 53.322 . 1 1505 293 293 LEU CB C 44.582 . 1 1506 293 293 LEU CD1 C 21.634 . 1 1507 293 293 LEU CD2 C 23.662 . 1 1508 293 293 LEU N N 122.735 . 1 1509 294 294 ARG H H 8.181 . 1 1510 294 294 ARG C C 173.973 . 1 1511 294 294 ARG CA C 54.442 . 1 1512 294 294 ARG CB C 29.567 . 1 1513 294 294 ARG N N 122.506 . 1 1514 295 295 TRP H H 8.691 . 1 1515 295 295 TRP HE1 H 9.439 . 1 1516 295 295 TRP C C 176.485 . 1 1517 295 295 TRP CA C 55.712 . 1 1518 295 295 TRP CB C 27.849 . 1 1519 295 295 TRP N N 125.879 . 1 1520 295 295 TRP NE1 N 126.180 . 1 1521 296 296 THR H H 8.662 . 1 1522 296 296 THR C C 173.358 . 1 1523 296 296 THR CA C 58.327 . 1 1524 296 296 THR CB C 70.951 . 1 1525 296 296 THR N N 114.634 . 1 1526 297 297 GLY H H 8.591 . 1 1527 297 297 GLY C C 174.206 . 1 1528 297 297 GLY CA C 44.433 . 1 1529 297 297 GLY N N 111.581 . 1 1530 298 298 TYR H H 7.878 . 1 1531 298 298 TYR C C 175.221 . 1 1532 298 298 TYR CA C 57.132 . 1 1533 298 298 TYR CB C 38.606 . 1 1534 298 298 TYR N N 119.032 . 1 1535 299 299 LYS H H 8.010 . 1 1536 299 299 LYS C C 175.770 . 1 1537 299 299 LYS CA C 56.385 . 1 1538 299 299 LYS CB C 31.958 . 1 1539 299 299 LYS N N 121.413 . 1 1540 300 300 ASN H H 8.205 . 1 1541 300 300 ASN CA C 52.799 . 1 1542 300 300 ASN CB C 39.054 . 1 1543 300 300 ASN N N 121.157 . 1 1544 301 301 SER C C 174.189 . 1 1545 301 301 SER CA C 58.850 . 1 1546 301 301 SER CB C 63.033 . 1 1547 302 302 ASP H H 8.293 . 1 1548 302 302 ASP C C 175.953 . 1 1549 302 302 ASP CA C 54.144 . 1 1550 302 302 ASP CB C 40.698 . 1 1551 302 302 ASP N N 120.940 . 1 1552 303 303 ALA H H 7.882 . 1 1553 303 303 ALA C C 178.348 . 1 1554 303 303 ALA CA C 53.023 . 1 1555 303 303 ALA CB C 18.512 . 1 1556 303 303 ALA N N 123.015 . 1 1557 304 304 GLY H H 8.330 . 1 1558 304 304 GLY C C 174.489 . 1 1559 304 304 GLY CA C 45.105 . 1 1560 304 304 GLY N N 107.816 . 1 1561 305 305 SER H H 8.003 . 1 1562 305 305 SER C C 173.457 . 1 1563 305 305 SER CA C 58.028 . 1 1564 305 305 SER CB C 63.556 . 1 1565 305 305 SER N N 115.321 . 1 1566 306 306 ASN H H 8.116 . 1 1567 306 306 ASN C C 175.687 . 1 1568 306 306 ASN CA C 54.667 . 1 1569 306 306 ASN CB C 40.399 . 1 1570 306 306 ASN N N 125.636 . 1 1571 307 307 GLY H H 8.459 . 1 1572 307 307 GLY C C 173.275 . 1 1573 307 307 GLY CA C 45.254 . 1 1574 307 307 GLY N N 108.169 . 1 1575 308 308 ILE H H 7.523 . 1 1576 308 308 ILE HD1 H 0.758 . 1 1577 308 308 ILE C C 175.969 . 1 1578 308 308 ILE CA C 59.896 . 1 1579 308 308 ILE CB C 38.009 . 1 1580 308 308 ILE CD1 C 13.101 . 1 1581 308 308 ILE N N 119.106 . 1 1582 309 309 VAL H H 8.235 . 1 1583 309 309 VAL HG1 H -0.028 . 4 1584 309 309 VAL HG2 H 0.394 . 4 1585 309 309 VAL C C 174.006 . 1 1586 309 309 VAL CA C 59.896 . 1 1587 309 309 VAL CB C 32.182 . 1 1588 309 309 VAL CG1 C 20.031 . 2 1589 309 309 VAL N N 124.937 . 1 1590 310 310 ILE H H 7.728 . 1 1591 310 310 ILE HD1 H 0.500 . 1 1592 310 310 ILE C C 178.065 . 1 1593 310 310 ILE CA C 59.746 . 1 1594 310 310 ILE CB C 38.083 . 1 1595 310 310 ILE CD1 C 13.159 . 1 1596 310 310 ILE N N 122.033 . 1 1597 311 311 VAL H H 8.692 . 1 1598 311 311 VAL HG1 H 1.156 . 2 1599 311 311 VAL HG2 H 1.142 . 2 1600 311 311 VAL C C 174.822 . 1 1601 311 311 VAL CA C 63.108 . 1 1602 311 311 VAL CB C 33.302 . 1 1603 311 311 VAL CG1 C 22.390 . 1 1604 311 311 VAL CG2 C 22.099 . 1 1605 311 311 VAL N N 127.889 . 1 1606 312 312 ALA H H 8.496 . 1 1607 312 312 ALA CA C 52.127 . 1 1608 312 312 ALA CB C 20.379 . 1 1609 312 312 ALA N N 134.688 . 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 28 '28,28,29,29,29' '67,67,67,68,68,68' '173,173,173,174,174,174' '182,182,182,183,183,183,208,208,208,269,269,269,270,270,270' '291,291,291,310,310,310' '320,320,320' '451,452,453,454,455,456' '475,476,477' '529,530,531,574,575,576,577,578,579,760,761,762,763,764,765' '919,920,921' '932,933,934' '1119,1120,1121,1122,1123,1124' '1157,1158,1159,1160,1161,1162' '1491,1492,1493,1494,1495,1496' '1575,1576,1576,1576,1577,1578' stop_ save_