data_15734 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of cGMP-binding GAF domain of Phosphodiesterase 5 ; _BMRB_accession_number 15734 _BMRB_flat_file_name bmr15734.str _Entry_type new _Submission_date 2008-04-16 _Accession_date 2008-04-16 _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 Heikaus Clemens C. . 2 Stout Joseph R. . 3 Sekharan Monica R. . 4 Eakin Catherine M. . 5 Rajagopal Ponni . . 6 Brzovic Peter S. . 7 Beavo Joseph A. . 8 Klevit Rachel E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 810 "13C chemical shifts" 636 "15N chemical shifts" 151 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-02 update BMRB 'edit assembly name' 2008-08-28 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of the cGMP Binding GAF Domain from Phosphodiesterase 5: INSIGHTS INTO NUCLEOTIDE SPECIFICITY, DIMERIZATION, AND cGMP-DEPENDENT CONFORMATIONAL CHANGE' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18534985 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Heikaus Clemens C. . 2 Stout Joseph R. . 3 Sekharan Monica R. . 4 Eakin Catherine M. . 5 Rajagopal Ponni . . 6 Brzovic Peter S. . 7 Beavo Joseph A. . 8 Klevit Rachel E. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 283 _Journal_issue 33 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 22749 _Page_last 22759 _Year 2008 _Details . loop_ _Keyword 'cyclic nucleotide phosphodiesterase' PDE5 'GAF domain' cGMP NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Phosphodiesterase 5' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $mPDE5_GAFA GUANOSINE-3',5'-MONOPHOSPHATE $35G stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_mPDE5_GAFA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common mPDE5_GAFA _Molecular_mass 20037.4 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 176 _Mol_residue_sequence ; MDVTALCHKIFLHIHGLISA DRYSLFLVCEDSSKDKFLIS RLFDVAEGSTLEEASNNCIR LEWNKGIVGHVAAFGEPLNI KDAYEDPRFNAEVDQITGYK TQSILCMPIKNHREEVVGVA QAINKKSGNGGTFTEKDEKD FAEYLAFCGEVLHNAQLYET SLLENKRNLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 153 MET 2 154 ASP 3 155 VAL 4 156 THR 5 157 ALA 6 158 LEU 7 159 CYS 8 160 HIS 9 161 LYS 10 162 ILE 11 163 PHE 12 164 LEU 13 165 HIS 14 166 ILE 15 167 HIS 16 168 GLY 17 169 LEU 18 170 ILE 19 171 SER 20 172 ALA 21 173 ASP 22 174 ARG 23 175 TYR 24 176 SER 25 177 LEU 26 178 PHE 27 179 LEU 28 180 VAL 29 181 CYS 30 182 GLU 31 183 ASP 32 184 SER 33 185 SER 34 186 LYS 35 187 ASP 36 188 LYS 37 189 PHE 38 190 LEU 39 191 ILE 40 192 SER 41 193 ARG 42 194 LEU 43 195 PHE 44 196 ASP 45 197 VAL 46 198 ALA 47 199 GLU 48 200 GLY 49 201 SER 50 202 THR 51 203 LEU 52 204 GLU 53 205 GLU 54 206 ALA 55 207 SER 56 208 ASN 57 209 ASN 58 210 CYS 59 211 ILE 60 212 ARG 61 213 LEU 62 214 GLU 63 215 TRP 64 216 ASN 65 217 LYS 66 218 GLY 67 219 ILE 68 220 VAL 69 221 GLY 70 222 HIS 71 223 VAL 72 224 ALA 73 225 ALA 74 226 PHE 75 227 GLY 76 228 GLU 77 229 PRO 78 230 LEU 79 231 ASN 80 232 ILE 81 233 LYS 82 234 ASP 83 235 ALA 84 236 TYR 85 237 GLU 86 238 ASP 87 239 PRO 88 240 ARG 89 241 PHE 90 242 ASN 91 243 ALA 92 244 GLU 93 245 VAL 94 246 ASP 95 247 GLN 96 248 ILE 97 249 THR 98 250 GLY 99 251 TYR 100 252 LYS 101 253 THR 102 254 GLN 103 255 SER 104 256 ILE 105 257 LEU 106 258 CYS 107 259 MET 108 260 PRO 109 261 ILE 110 262 LYS 111 263 ASN 112 264 HIS 113 265 ARG 114 266 GLU 115 267 GLU 116 268 VAL 117 269 VAL 118 270 GLY 119 271 VAL 120 272 ALA 121 273 GLN 122 274 ALA 123 275 ILE 124 276 ASN 125 277 LYS 126 278 LYS 127 279 SER 128 280 GLY 129 281 ASN 130 282 GLY 131 283 GLY 132 284 THR 133 285 PHE 134 286 THR 135 287 GLU 136 288 LYS 137 289 ASP 138 290 GLU 139 291 LYS 140 292 ASP 141 293 PHE 142 294 ALA 143 295 GLU 144 296 TYR 145 297 LEU 146 298 ALA 147 299 PHE 148 300 CYS 149 301 GLY 150 302 GLU 151 303 VAL 152 304 LEU 153 305 HIS 154 306 ASN 155 307 ALA 156 308 GLN 157 309 LEU 158 310 TYR 159 311 GLU 160 312 THR 161 313 SER 162 314 LEU 163 315 LEU 164 316 GLU 165 317 ASN 166 318 LYS 167 319 ARG 168 320 ASN 169 321 LEU 170 322 GLU 171 323 HIS 172 324 HIS 173 325 HIS 174 326 HIS 175 327 HIS 176 328 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-06 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2K31 "Solution Structure Of Cgmp-Binding Gaf Domain Of Phosphodiesterase 5" 100.00 176 100.00 100.00 1.87e-126 DBJ BAA84660 "cGMP-binding cGMP specific phosphodiesterase [Rattus norvegicus]" 65.34 235 98.26 100.00 7.12e-77 DBJ BAC27332 "unnamed protein product [Mus musculus]" 78.98 287 99.28 100.00 4.21e-95 GB EGW02508 "cGMP-specific 3',5'-cyclic phosphodiesterase [Cricetulus griseus]" 95.45 597 97.02 98.81 8.13e-113 TPG DAA28931 "TPA: cGMP-specific 3',5'-cyclic phosphodiesterase [Bos taurus]" 50.00 240 97.73 98.86 5.71e-54 stop_ save_ ############# # Ligands # ############# save_35G _Saveframe_category ligand _Mol_type non-polymer _Name_common "35G (GUANOSINE-3',5'-MONOPHOSPHATE)" _BMRB_code . _PDB_code 35G _Molecular_mass 345.205 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 17:19:31 2008 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons P P P S 0 . ? O1P O1P O N 0 . ? O2P O2P O N 0 . ? O5' O5' O N 0 . ? C5' C5' C N 0 . ? C4' C4' C R 0 . ? O4' O4' O N 0 . ? C3' C3' C S 0 . ? O3' O3' O N 0 . ? C2' C2' C R 0 . ? O2' O2' O N 0 . ? C1' C1' C R 0 . ? N9 N9 N N 0 . ? C8 C8 C N 0 . ? N7 N7 N N 0 . ? C5 C5 C N 0 . ? C6 C6 C N 0 . ? O6 O6 O N 0 . ? N1 N1 N N 0 . ? C2 C2 C N 0 . ? N2 N2 N N 0 . ? N3 N3 N N 0 . ? C4 C4 C N 0 . ? HOP2 HOP2 H N 0 . ? H5'1 H5'1 H N 0 . ? H5'2 H5'2 H N 0 . ? H4' H4' H N 0 . ? H3' H3' H N 0 . ? H2' H2' H N 0 . ? HO2' HO2' H N 0 . ? H1' H1' H N 0 . ? H8 H8 H N 0 . ? HN1 HN1 H N 0 . ? HN21 HN21 H N 0 . ? HN22 HN22 H N 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB P O1P ? ? SING P O2P ? ? SING P O5' ? ? SING P O3' ? ? SING O2P HOP2 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5'1 ? ? SING C5' H5'2 ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING C2' O2' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C1' N9 ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? DOUB C8 N7 ? ? SING C8 H8 ? ? SING N7 C5 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? DOUB C6 O6 ? ? SING C6 N1 ? ? SING N1 C2 ? ? SING N1 HN1 ? ? SING C2 N2 ? ? DOUB C2 N3 ? ? SING N2 HN21 ? ? SING N2 HN22 ? ? SING N3 C4 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $mPDE5_GAFA 'Mus musculus' 10090 Eukaryota Metazoa Mus musculus 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 $mPDE5_GAFA 'recombinant technology' . . . BL21(DE3)star pRunH $35G 'obtained from a vendor' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_unlabeled_5A _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $35G . mM 0.5 1.2 'natural abundance' $mPDE5_GAFA . mM 0.5 1.2 'natural abundance' 'sodium chloride' 150 mM . . 'natural abundance' PMSF 1 mM . . 'natural abundance' DTT 1-5 mM . . 'natural abundance' EDTA 0.1 mM . . 'natural abundance' 'sodium phosphate' 25 mM . . 'natural abundance' D2O 10 % . . . H2O 90 % . . 'natural abundance' stop_ save_ save_15N_5A _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $35G . mM 0.5 1.2 'natural abundance' $mPDE5_GAFA . mM 0.5 1.2 '[U-100% 15N]' 'sodium chloride' 150 mM . . 'natural abundance' PMSF 1 mM . . 'natural abundance' DTT 1-5 mM . . 'natural abundance' EDTA 0.1 mM . . 'natural abundance' 'sodium phosphate' 25 mM . . 'natural abundance' D2O 10 % . . . H2O 90 % . . 'natural abundance' stop_ save_ save_2H,13C,15N_5A _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $35G . mM 0.5 1.2 'natural abundance' $mPDE5_GAFA . mM 0.5 1.2 '[U-100% 13C; U-100% 15N; 80% 2H]' 'sodium chloride' 150 mM . . 'natural abundance' PMSF 1 mM . . 'natural abundance' DTT 1-5 mM . . 'natural abundance' EDTA 0.1 mM . . 'natural abundance' 'sodium phosphate' 25 mM . . 'natural abundance' D2O 10 % . . . H2O 90 % . . 'natural abundance' stop_ save_ save_13C,15N_5A _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $35G . mM 0.5 1.2 'natural abundance' $mPDE5_GAFA . mM 0.5 1.2 '[U-100% 13C; U-100% 15N]' 'sodium chloride' 150 mM . . 'natural abundance' PMSF 1 mM . . 'natural abundance' DTT 1-5 mM . . 'natural abundance' EDTA 0.1 mM . . 'natural abundance' 'sodium phosphate' 25 mM . . 'natural abundance' D2O 10 % . . . H2O 90 % . . 'natural abundance' stop_ save_ save_15N_5A_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $35G . mM 0.5 1.2 'natural abundance' $mPDE5_GAFA . mM 0.5 1.2 '[U-100% 15N]' 'sodium chloride' 150 mM . . 'natural abundance' PMSF 1 mM . . 'natural abundance' DTT 1-5 mM . . 'natural abundance' EDTA 0.1 mM . . 'natural abundance' 'sodium phosphate' 25 mM . . 'natural abundance' D2O 100 % . . . stop_ save_ save_13C,15N_5A_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $35G . mM 0.5 1.2 'natural abundance' $mPDE5_GAFA . mM 0.5 1.2 '[U-100% 13C; U-100% 15N]' 'sodium chloride' 150 mM . . 'natural abundance' PMSF 1 mM . . 'natural abundance' DTT 1-5 mM . . 'natural abundance' EDTA 0.1 mM . . 'natural abundance' 'sodium phosphate' 25 mM . . 'natural abundance' D2O 100 % . . . stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' 'data analysis' stop_ _Details . save_ save_ModelFree _Saveframe_category software _Name ModelFree _Version . loop_ _Vendor _Address _Electronic_address Palmer . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_5 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N_5A save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $13C,15N_5A save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $unlabeled_5A save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $2H,13C,15N_5A save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $2H,13C,15N_5A save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $2H,13C,15N_5A save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $2H,13C,15N_5A save_ save_3D_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $13C,15N_5A save_ save_3D_HN(COCA)CB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $2H,13C,15N_5A save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $13C,15N_5A save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $13C,15N_5A save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $13C,15N_5A_2 save_ save_3D_HN(CO)CA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $2H,13C,15N_5A save_ save_2D_1H-15N_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N_5A_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 310 . K pH 7 . pH pressure 1 . atm 'ionic strength' 150 . mM 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 H 1 'methyl protons' ppm 0 external direct . . . 1.0 DSS C 13 'methyl protons' ppm 0 external indirect . . . 0.25145 DSS N 15 'methyl protons' ppm 0 external indirect . . . 0.10133 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_5GAFA_N-AI _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-COSY' '3D HN(COCA)CB' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $15N_5A $13C,15N_5A $2H,13C,15N_5A $13C,15N_5A_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _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 1 154 2 ASP HA H 4.852 0.05 1 2 154 2 ASP HB2 H 2.902 0.05 2 3 154 2 ASP HB3 H 2.802 0.05 2 4 154 2 ASP C C 176.400 0.5 1 5 154 2 ASP CA C 53.300 0.5 1 6 154 2 ASP CB C 41.800 0.5 1 7 155 3 VAL H H 8.510 0.05 1 8 155 3 VAL HA H 3.852 0.05 1 9 155 3 VAL HB H 2.162 0.05 1 10 155 3 VAL HG1 H 0.840 0.05 2 11 155 3 VAL HG2 H 0.980 0.05 2 12 155 3 VAL CA C 65.200 0.5 1 13 155 3 VAL CB C 31.500 0.5 1 14 155 3 VAL CG1 C 22.100 0.5 1 15 155 3 VAL CG2 C 22.200 0.5 1 16 155 3 VAL N N 121.700 0.5 1 17 156 4 THR H H 8.140 0.05 1 18 156 4 THR CA C 59.000 0.5 1 19 156 4 THR CB C 63.600 0.5 1 20 156 4 THR CG2 C 22.700 0.5 1 21 156 4 THR N N 117.200 0.5 1 22 157 5 ALA H H 7.970 0.05 1 23 157 5 ALA HA H 4.172 0.05 1 24 157 5 ALA HB H 1.542 0.05 1 25 157 5 ALA CA C 55.100 0.5 1 26 157 5 ALA CB C 18.700 0.5 1 27 157 5 ALA N N 123.200 0.5 1 28 158 6 LEU H H 7.940 0.05 1 29 158 6 LEU HA H 4.152 0.05 1 30 158 6 LEU HB2 H 1.632 0.05 2 31 158 6 LEU HB3 H 1.762 0.05 2 32 158 6 LEU HD1 H 0.922 0.05 2 33 158 6 LEU HD2 H 0.872 0.05 2 34 158 6 LEU HG H 1.600 0.05 1 35 158 6 LEU C C 178.800 0.5 1 36 158 6 LEU CA C 57.900 0.5 1 37 158 6 LEU CB C 42.100 0.5 1 38 158 6 LEU CD1 C 24.100 0.5 1 39 158 6 LEU CD2 C 26.100 0.5 1 40 158 6 LEU CG C 26.900 0.5 1 41 158 6 LEU N N 119.300 0.5 1 42 159 7 CYS H H 8.340 0.05 1 43 159 7 CYS HA H 3.992 0.05 1 44 159 7 CYS HB2 H 2.372 0.05 2 45 159 7 CYS HB3 H 2.972 0.05 2 46 159 7 CYS CA C 64.500 0.5 1 47 159 7 CYS CB C 26.700 0.5 1 48 159 7 CYS N N 115.900 0.5 1 49 160 8 HIS H H 8.410 0.05 1 50 160 8 HIS C C 175.900 0.5 1 51 160 8 HIS CA C 61.600 0.5 1 52 160 8 HIS CB C 32.400 0.5 1 53 160 8 HIS N N 119.800 0.5 1 54 161 9 LYS H H 7.630 0.05 1 55 161 9 LYS HA H 3.832 0.05 1 56 161 9 LYS HB2 H 2.172 0.05 2 57 161 9 LYS HB3 H 1.952 0.05 2 58 161 9 LYS HD2 H 1.642 0.05 2 59 161 9 LYS HD3 H 1.672 0.05 2 60 161 9 LYS HE2 H 3.002 0.05 2 61 161 9 LYS HE3 H 3.002 0.05 2 62 161 9 LYS HG2 H 1.710 0.05 2 63 161 9 LYS HG3 H 1.590 0.05 2 64 161 9 LYS CA C 59.500 0.5 1 65 161 9 LYS CB C 32.100 0.5 1 66 161 9 LYS CD C 28.700 0.5 1 67 161 9 LYS CE C 42.100 0.5 1 68 161 9 LYS CG C 25.400 0.5 1 69 161 9 LYS N N 116.700 0.5 1 70 162 10 ILE H H 8.190 0.05 1 71 162 10 ILE HA H 3.662 0.05 1 72 162 10 ILE HB H 2.052 0.05 1 73 162 10 ILE HD1 H 0.912 0.05 1 74 162 10 ILE HG12 H 1.880 0.05 1 75 162 10 ILE HG2 H 0.780 0.05 2 76 162 10 ILE CA C 65.500 0.5 1 77 162 10 ILE CB C 37.200 0.5 1 78 162 10 ILE CD1 C 17.500 0.5 1 79 162 10 ILE CG1 C 23.430 0.5 2 80 162 10 ILE CG2 C 13.900 0.5 1 81 162 10 ILE N N 120.000 0.5 1 82 163 11 PHE H H 8.440 0.05 1 83 163 11 PHE HA H 4.022 0.05 1 84 163 11 PHE HB2 H 2.402 0.05 2 85 163 11 PHE HB3 H 3.132 0.05 2 86 163 11 PHE HD1 H 7.130 0.05 3 87 163 11 PHE HE1 H 7.300 0.05 3 88 163 11 PHE C C 175.843 0.5 1 89 163 11 PHE CA C 60.400 0.5 1 90 163 11 PHE CB C 37.900 0.5 1 91 163 11 PHE CD1 C 130.600 0.5 3 92 163 11 PHE CE1 C 130.600 0.5 3 93 163 11 PHE N N 119.800 0.5 1 94 164 12 LEU HA H 4.092 0.05 1 95 164 12 LEU HB2 H 1.772 0.05 2 96 164 12 LEU HB3 H 1.772 0.05 2 97 164 12 LEU HD1 H 0.802 0.05 2 98 164 12 LEU HD2 H 0.972 0.05 2 99 164 12 LEU HG H 1.510 0.05 1 100 164 12 LEU CA C 57.300 0.5 1 101 164 12 LEU CB C 41.700 0.5 1 102 164 12 LEU CD1 C 25.700 0.5 1 103 164 12 LEU CD2 C 21.400 0.5 1 104 164 12 LEU CG C 25.100 0.5 1 105 165 13 HIS H H 7.810 0.05 1 106 165 13 HIS HA H 4.292 0.05 1 107 165 13 HIS HB2 H 3.062 0.05 2 108 165 13 HIS HB3 H 3.172 0.05 2 109 165 13 HIS C C 178.300 0.5 1 110 165 13 HIS CA C 59.400 0.5 1 111 165 13 HIS CB C 30.900 0.5 1 112 165 13 HIS N N 120.200 0.5 1 113 166 14 ILE H H 8.390 0.05 1 114 166 14 ILE HA H 3.442 0.05 1 115 166 14 ILE HB H 1.872 0.05 1 116 166 14 ILE HD1 H 0.672 0.05 1 117 166 14 ILE HG12 H 1.470 0.05 1 118 166 14 ILE HG13 H 1.070 0.05 1 119 166 14 ILE HG2 H 0.620 0.05 2 120 166 14 ILE C C 178.355 0.5 1 121 166 14 ILE CA C 64.000 0.5 1 122 166 14 ILE CB C 37.900 0.5 1 123 166 14 ILE CD1 C 18.200 0.5 1 124 166 14 ILE CG1 C 29.200 0.5 2 125 166 14 ILE CG2 C 14.200 0.5 1 126 166 14 ILE N N 118.200 0.5 1 127 167 15 HIS H H 8.090 0.05 1 128 167 15 HIS HA H 4.842 0.05 1 129 167 15 HIS HB2 H 3.102 0.05 2 130 167 15 HIS HB3 H 3.082 0.05 2 131 167 15 HIS HD2 H 7.042 0.05 3 132 167 15 HIS C C 178.500 0.5 1 133 167 15 HIS CA C 59.500 0.5 1 134 167 15 HIS CB C 30.900 0.5 1 135 167 15 HIS CD2 C 117.130 0.5 1 136 167 15 HIS N N 122.100 0.5 1 137 168 16 GLY H H 7.460 0.05 1 138 168 16 GLY HA2 H 3.662 0.05 2 139 168 16 GLY HA3 H 3.792 0.05 2 140 168 16 GLY C C 173.900 0.5 1 141 168 16 GLY CA C 46.100 0.5 1 142 168 16 GLY N N 103.600 0.5 1 143 169 17 LEU H H 7.380 0.05 1 144 169 17 LEU HA H 4.392 0.05 1 145 169 17 LEU HB2 H 1.692 0.05 2 146 169 17 LEU HB3 H 1.822 0.05 2 147 169 17 LEU HD1 H 0.782 0.05 2 148 169 17 LEU HD2 H 0.752 0.05 2 149 169 17 LEU HG H 1.690 0.05 1 150 169 17 LEU C C 177.800 0.5 1 151 169 17 LEU CA C 56.500 0.5 1 152 169 17 LEU CB C 42.400 0.5 1 153 169 17 LEU CD1 C 23.100 0.5 1 154 169 17 LEU CD2 C 25.600 0.5 1 155 169 17 LEU CG C 26.900 0.5 1 156 169 17 LEU N N 118.900 0.5 1 157 170 18 ILE H H 7.910 0.05 1 158 170 18 ILE HA H 4.282 0.05 1 159 170 18 ILE HB H 2.052 0.05 1 160 170 18 ILE HD1 H 0.972 0.05 1 161 170 18 ILE HG12 H 1.460 0.05 1 162 170 18 ILE HG13 H 1.460 0.05 1 163 170 18 ILE HG2 H 0.560 0.05 2 164 170 18 ILE CA C 61.900 0.5 1 165 170 18 ILE CB C 38.900 0.5 1 166 170 18 ILE CD1 C 18.000 0.5 1 167 170 18 ILE CG1 C 27.100 0.5 2 168 170 18 ILE CG2 C 13.400 0.5 1 169 170 18 ILE N N 113.000 0.5 1 170 171 19 SER H H 8.190 0.05 1 171 171 19 SER HA H 3.702 0.05 1 172 171 19 SER HB2 H 3.662 0.05 2 173 171 19 SER HB3 H 4.042 0.05 2 174 171 19 SER C C 173.600 0.5 1 175 171 19 SER CA C 58.600 0.5 1 176 171 19 SER CB C 62.300 0.5 1 177 171 19 SER N N 113.600 0.5 1 178 172 20 ALA H H 8.240 0.05 1 179 172 20 ALA HA H 4.682 0.05 1 180 172 20 ALA HB H 1.122 0.05 1 181 172 20 ALA CA C 50.400 0.5 1 182 172 20 ALA CB C 20.600 0.5 1 183 172 20 ALA N N 122.500 0.5 1 184 173 21 ASP H H 8.110 0.05 1 185 173 21 ASP HA H 4.782 0.05 1 186 173 21 ASP HB2 H 2.962 0.05 2 187 173 21 ASP HB3 H 3.012 0.05 2 188 173 21 ASP C C 174.836 0.5 1 189 173 21 ASP CA C 56.900 0.5 1 190 173 21 ASP CB C 44.700 0.5 1 191 173 21 ASP N N 118.800 0.5 1 192 174 22 ARG H H 7.550 0.05 1 193 174 22 ARG HA H 5.272 0.05 1 194 174 22 ARG HB2 H 1.152 0.05 2 195 174 22 ARG HB3 H 1.562 0.05 2 196 174 22 ARG HD2 H 2.542 0.05 2 197 174 22 ARG HD3 H 3.272 0.05 2 198 174 22 ARG HG2 H 1.000 0.05 2 199 174 22 ARG HG3 H 1.240 0.05 2 200 174 22 ARG C C 173.400 0.5 1 201 174 22 ARG CA C 52.800 0.5 1 202 174 22 ARG CB C 34.200 0.5 1 203 174 22 ARG CD C 42.300 0.5 1 204 174 22 ARG CG C 26.300 0.5 1 205 174 22 ARG N N 112.500 0.5 1 206 175 23 TYR H H 7.910 0.05 1 207 175 23 TYR HA H 5.472 0.05 1 208 175 23 TYR HD1 H 6.810 0.05 3 209 175 23 TYR HE1 H 6.390 0.05 3 210 175 23 TYR C C 173.800 0.5 1 211 175 23 TYR CA C 56.300 0.5 1 212 175 23 TYR CB C 43.100 0.5 1 213 175 23 TYR CD1 C 133.000 0.5 3 214 175 23 TYR CE1 C 117.600 0.5 3 215 175 23 TYR N N 115.500 0.5 1 216 176 24 SER H H 9.050 0.05 1 217 176 24 SER HA H 4.512 0.05 1 218 176 24 SER HB2 H 3.832 0.05 2 219 176 24 SER HB3 H 4.832 0.05 2 220 176 24 SER C C 173.600 0.5 1 221 176 24 SER CA C 56.200 0.5 1 222 176 24 SER CB C 66.200 0.5 1 223 176 24 SER N N 111.300 0.5 1 224 177 25 LEU H H 8.580 0.05 1 225 177 25 LEU HA H 5.292 0.05 1 226 177 25 LEU HB2 H 1.532 0.05 2 227 177 25 LEU HB3 H 1.702 0.05 2 228 177 25 LEU HD1 H 0.962 0.05 2 229 177 25 LEU HD2 H 0.832 0.05 2 230 177 25 LEU HG H 1.420 0.05 1 231 177 25 LEU C C 174.400 0.5 1 232 177 25 LEU CA C 54.402 0.5 1 233 177 25 LEU CB C 47.100 0.5 1 234 177 25 LEU CD1 C 24.100 0.5 1 235 177 25 LEU CD2 C 25.900 0.5 1 236 177 25 LEU CG C 28.600 0.5 1 237 177 25 LEU N N 118.600 0.5 1 238 178 26 PHE H H 9.790 0.05 1 239 178 26 PHE HA H 5.242 0.05 1 240 178 26 PHE HB2 H 2.722 0.05 2 241 178 26 PHE HB3 H 2.932 0.05 2 242 178 26 PHE HD1 H 7.000 0.05 3 243 178 26 PHE HE1 H 7.490 0.05 3 244 178 26 PHE C C 174.700 0.5 1 245 178 26 PHE CA C 56.600 0.5 1 246 178 26 PHE CB C 42.700 0.5 1 247 178 26 PHE CD1 C 128.800 0.5 3 248 178 26 PHE CE1 C 131.900 0.5 3 249 178 26 PHE N N 125.500 0.5 1 250 179 27 LEU H H 9.370 0.05 1 251 179 27 LEU HA H 5.062 0.05 1 252 179 27 LEU HB2 H 1.642 0.05 2 253 179 27 LEU HB3 H 1.692 0.05 2 254 179 27 LEU HD1 H 0.912 0.05 2 255 179 27 LEU HD2 H 0.932 0.05 2 256 179 27 LEU HG H 1.660 0.05 1 257 179 27 LEU C C 176.300 0.5 1 258 179 27 LEU CA C 53.332 0.5 1 259 179 27 LEU CB C 43.800 0.5 1 260 179 27 LEU CD1 C 25.600 0.5 1 261 179 27 LEU CD2 C 23.300 0.5 1 262 179 27 LEU CG C 27.800 0.5 1 263 179 27 LEU N N 120.900 0.5 1 264 180 28 VAL H H 7.570 0.05 1 265 180 28 VAL HA H 4.312 0.05 1 266 180 28 VAL HB H 1.942 0.05 1 267 180 28 VAL HG1 H 0.960 0.05 2 268 180 28 VAL HG2 H 0.990 0.05 2 269 180 28 VAL C C 175.600 0.5 1 270 180 28 VAL CA C 63.200 0.5 1 271 180 28 VAL CB C 32.054 0.5 1 272 180 28 VAL CG1 C 21.300 0.5 1 273 180 28 VAL CG2 C 21.600 0.5 1 274 180 28 VAL N N 121.100 0.5 1 275 181 29 CYS H H 8.730 0.05 1 276 181 29 CYS HA H 4.632 0.05 1 277 181 29 CYS HB2 H 1.402 0.05 2 278 181 29 CYS HB3 H 2.162 0.05 2 279 181 29 CYS C C 171.600 0.5 1 280 181 29 CYS CA C 57.261 0.5 1 281 181 29 CYS CB C 31.200 0.5 1 282 181 29 CYS N N 127.200 0.5 1 283 182 30 GLU H H 8.040 0.05 1 284 182 30 GLU HA H 4.992 0.05 1 285 182 30 GLU HB2 H 1.712 0.05 2 286 182 30 GLU HB3 H 1.852 0.05 2 287 182 30 GLU HG2 H 1.950 0.05 2 288 182 30 GLU HG3 H 2.060 0.05 2 289 182 30 GLU C C 176.100 0.5 1 290 182 30 GLU CA C 54.770 0.5 1 291 182 30 GLU CB C 33.159 0.5 1 292 182 30 GLU CG C 36.500 0.5 1 293 182 30 GLU N N 119.243 0.5 1 294 183 31 ASP H H 8.560 0.05 1 295 183 31 ASP HA H 4.992 0.05 1 296 183 31 ASP HB2 H 2.792 0.05 2 297 183 31 ASP HB3 H 3.272 0.05 2 298 183 31 ASP CA C 52.632 0.5 1 299 183 31 ASP CB C 42.814 0.5 1 300 183 31 ASP N N 123.374 0.5 1 301 184 32 SER HA H 4.282 0.05 1 302 184 32 SER HB2 H 4.002 0.05 2 303 184 32 SER HB3 H 4.062 0.05 2 304 184 32 SER C C 175.400 0.5 1 305 184 32 SER CA C 60.900 0.5 1 306 184 32 SER CB C 62.800 0.5 1 307 185 33 SER H H 8.320 0.05 1 308 185 33 SER HA H 4.512 0.05 1 309 185 33 SER HB2 H 3.962 0.05 2 310 185 33 SER HB3 H 4.062 0.05 2 311 185 33 SER C C 173.900 0.5 1 312 185 33 SER CA C 58.789 0.5 1 313 185 33 SER CB C 63.548 0.5 1 314 185 33 SER N N 117.723 0.5 1 315 186 34 LYS H H 8.160 0.05 1 316 186 34 LYS HA H 3.822 0.05 1 317 186 34 LYS HB2 H 1.982 0.05 2 318 186 34 LYS HB3 H 2.162 0.05 2 319 186 34 LYS HD2 H 1.882 0.05 2 320 186 34 LYS HD3 H 1.882 0.05 2 321 186 34 LYS HE2 H 2.992 0.05 2 322 186 34 LYS HE3 H 2.992 0.05 2 323 186 34 LYS HG2 H 1.330 0.05 2 324 186 34 LYS HG3 H 1.390 0.05 2 325 186 34 LYS C C 175.500 0.5 1 326 186 34 LYS CA C 57.782 0.5 1 327 186 34 LYS CB C 29.400 0.5 1 328 186 34 LYS CD C 28.700 0.5 1 329 186 34 LYS CE C 42.200 0.5 1 330 186 34 LYS CG C 25.400 0.5 1 331 186 34 LYS N N 114.826 0.5 1 332 187 35 ASP H H 7.990 0.05 1 333 187 35 ASP HA H 4.632 0.05 1 334 187 35 ASP HB2 H 2.622 0.05 2 335 187 35 ASP HB3 H 2.712 0.05 2 336 187 35 ASP C C 175.500 0.5 1 337 187 35 ASP CA C 54.400 0.5 1 338 187 35 ASP CB C 41.877 0.5 1 339 187 35 ASP N N 120.708 0.5 1 340 188 36 LYS H H 7.790 0.05 1 341 188 36 LYS HA H 5.042 0.05 1 342 188 36 LYS HB2 H 0.522 0.05 2 343 188 36 LYS HB3 H 0.952 0.05 2 344 188 36 LYS HD2 H 0.552 0.05 2 345 188 36 LYS HD3 H 0.732 0.05 2 346 188 36 LYS HE2 H 2.262 0.05 2 347 188 36 LYS HE3 H 2.302 0.05 2 348 188 36 LYS HG2 H 0.820 0.05 2 349 188 36 LYS HG3 H 0.940 0.05 2 350 188 36 LYS C C 175.800 0.5 1 351 188 36 LYS CA C 55.059 0.5 1 352 188 36 LYS CB C 34.689 0.5 1 353 188 36 LYS CD C 28.900 0.5 1 354 188 36 LYS CE C 41.600 0.5 1 355 188 36 LYS CG C 25.500 0.5 1 356 188 36 LYS N N 120.600 0.5 1 357 189 37 PHE H H 8.530 0.05 1 358 189 37 PHE HA H 5.002 0.05 1 359 189 37 PHE HB2 H 3.192 0.05 2 360 189 37 PHE HB3 H 3.272 0.05 2 361 189 37 PHE HD1 H 7.030 0.05 3 362 189 37 PHE HE1 H 7.090 0.05 3 363 189 37 PHE C C 172.000 0.5 1 364 189 37 PHE CA C 56.689 0.5 1 365 189 37 PHE CB C 40.582 0.5 1 366 189 37 PHE CD1 C 133.000 0.5 3 367 189 37 PHE CE1 C 130.900 0.5 3 368 189 37 PHE N N 115.976 0.5 1 369 190 38 LEU H H 8.930 0.05 1 370 190 38 LEU HA H 5.582 0.05 1 371 190 38 LEU HB2 H 1.362 0.05 2 372 190 38 LEU HB3 H 1.802 0.05 2 373 190 38 LEU HD1 H 0.652 0.05 2 374 190 38 LEU HD2 H 0.762 0.05 2 375 190 38 LEU HG H 1.630 0.05 1 376 190 38 LEU C C 175.900 0.5 1 377 190 38 LEU CA C 53.611 0.5 1 378 190 38 LEU CB C 45.430 0.5 1 379 190 38 LEU CD1 C 26.300 0.5 1 380 190 38 LEU CD2 C 25.800 0.5 1 381 190 38 LEU CG C 28.500 0.5 1 382 190 38 LEU N N 119.237 0.5 1 383 191 39 ILE H H 8.890 0.05 1 384 191 39 ILE HA H 5.712 0.05 1 385 191 39 ILE HB H 1.852 0.05 1 386 191 39 ILE HD1 H 0.972 0.05 1 387 191 39 ILE HG12 H 1.300 0.05 1 388 191 39 ILE HG13 H 1.560 0.05 1 389 191 39 ILE HG2 H 0.980 0.05 2 390 191 39 ILE C C 175.000 0.5 1 391 191 39 ILE CA C 57.392 0.5 1 392 191 39 ILE CB C 42.900 0.5 1 393 191 39 ILE CD1 C 18.000 0.5 1 394 191 39 ILE CG1 C 28.400 0.5 2 395 191 39 ILE CG2 C 14.300 0.5 1 396 191 39 ILE N N 119.076 0.5 1 397 192 40 SER H H 8.920 0.05 1 398 192 40 SER HA H 4.462 0.05 1 399 192 40 SER HB2 H 3.712 0.05 2 400 192 40 SER HB3 H 3.882 0.05 2 401 192 40 SER C C 173.900 0.5 1 402 192 40 SER CA C 57.800 0.5 1 403 192 40 SER CB C 63.917 0.5 1 404 192 40 SER N N 123.169 0.5 1 405 193 41 ARG H H 8.730 0.05 1 406 193 41 ARG HA H 4.662 0.05 1 407 193 41 ARG HB2 H 1.572 0.05 2 408 193 41 ARG HB3 H 1.792 0.05 2 409 193 41 ARG HD2 H 3.332 0.05 2 410 193 41 ARG HD3 H 3.382 0.05 2 411 193 41 ARG HG2 H 1.580 0.05 2 412 193 41 ARG HG3 H 1.580 0.05 2 413 193 41 ARG C C 176.500 0.5 1 414 193 41 ARG CA C 54.701 0.5 1 415 193 41 ARG CB C 32.722 0.5 1 416 193 41 ARG CD C 42.100 0.5 1 417 193 41 ARG CG C 27.000 0.5 1 418 193 41 ARG N N 120.184 0.5 1 419 194 42 LEU H H 7.610 0.05 1 420 194 42 LEU HA H 5.072 0.05 1 421 194 42 LEU HB2 H 1.562 0.05 2 422 194 42 LEU HB3 H 1.602 0.05 2 423 194 42 LEU HD1 H 0.902 0.05 2 424 194 42 LEU HG H 1.670 0.05 1 425 194 42 LEU C C 175.600 0.5 1 426 194 42 LEU CA C 53.400 0.5 1 427 194 42 LEU CB C 45.300 0.5 1 428 194 42 LEU CD1 C 24.200 0.5 1 429 194 42 LEU CG C 27.900 0.5 1 430 194 42 LEU N N 115.300 0.5 1 431 195 43 PHE H H 8.830 0.05 1 432 195 43 PHE HA H 4.422 0.05 1 433 195 43 PHE HB2 H 2.732 0.05 2 434 195 43 PHE HB3 H 2.712 0.05 2 435 195 43 PHE HD1 H 6.860 0.05 3 436 195 43 PHE HE1 H 6.510 0.05 3 437 195 43 PHE C C 173.300 0.5 1 438 195 43 PHE CA C 58.561 0.5 1 439 195 43 PHE CB C 43.473 0.5 1 440 195 43 PHE CD1 C 131.700 0.5 3 441 195 43 PHE CE1 C 130.300 0.5 3 442 195 43 PHE N N 122.447 0.5 1 443 196 44 ASP H H 8.920 0.05 1 444 196 44 ASP HA H 4.262 0.05 1 445 196 44 ASP HB2 H 2.732 0.05 2 446 196 44 ASP HB3 H 3.242 0.05 2 447 196 44 ASP C C 176.500 0.5 1 448 196 44 ASP CA C 55.599 0.5 1 449 196 44 ASP CB C 39.303 0.5 1 450 196 44 ASP N N 126.430 0.5 1 451 197 45 VAL H H 8.770 0.05 1 452 197 45 VAL HA H 3.672 0.05 1 453 197 45 VAL HB H 2.392 0.05 1 454 197 45 VAL HG1 H 0.890 0.05 2 455 197 45 VAL HG2 H 1.050 0.05 2 456 197 45 VAL C C 174.700 0.5 1 457 197 45 VAL CA C 65.050 0.5 1 458 197 45 VAL CB C 30.958 0.5 1 459 197 45 VAL CG1 C 21.700 0.5 1 460 197 45 VAL CG2 C 24.600 0.5 1 461 197 45 VAL N N 117.594 0.5 1 462 198 46 ALA H H 7.600 0.05 1 463 198 46 ALA HA H 4.792 0.05 1 464 198 46 ALA HB H 1.432 0.05 1 465 198 46 ALA C C 177.000 0.5 1 466 198 46 ALA CA C 49.887 0.5 1 467 198 46 ALA CB C 23.300 0.5 1 468 198 46 ALA N N 126.470 0.5 1 469 199 47 GLU H H 8.280 0.05 1 470 199 47 GLU HA H 3.692 0.05 1 471 199 47 GLU HB2 H 1.742 0.05 2 472 199 47 GLU HB3 H 1.872 0.05 2 473 199 47 GLU HG2 H 2.210 0.05 2 474 199 47 GLU HG3 H 2.250 0.05 2 475 199 47 GLU C C 177.400 0.5 1 476 199 47 GLU CA C 58.475 0.5 1 477 199 47 GLU CB C 29.563 0.5 1 478 199 47 GLU CG C 36.100 0.5 1 479 199 47 GLU N N 120.980 0.5 1 480 200 48 GLY H H 8.680 0.05 1 481 200 48 GLY HA2 H 3.752 0.05 2 482 200 48 GLY HA3 H 3.832 0.05 2 483 200 48 GLY C C 174.700 0.5 1 484 200 48 GLY CA C 45.399 0.5 1 485 200 48 GLY N N 112.702 0.5 1 486 201 49 SER H H 8.010 0.05 1 487 201 49 SER HA H 4.752 0.05 1 488 201 49 SER HB2 H 4.182 0.05 2 489 201 49 SER HB3 H 4.182 0.05 2 490 201 49 SER C C 175.500 0.5 1 491 201 49 SER CA C 58.600 0.5 1 492 201 49 SER CB C 65.083 0.5 1 493 201 49 SER N N 115.704 0.5 1 494 202 50 THR H H 8.710 0.05 1 495 202 50 THR HA H 4.632 0.05 1 496 202 50 THR HB H 4.672 0.05 1 497 202 50 THR HG2 H 1.390 0.05 1 498 202 50 THR C C 175.200 0.5 1 499 202 50 THR CA C 60.262 0.5 1 500 202 50 THR CB C 71.600 0.5 1 501 202 50 THR CG2 C 22.000 0.5 1 502 202 50 THR N N 114.730 0.5 1 503 203 51 LEU H H 8.660 0.05 1 504 203 51 LEU HA H 3.082 0.05 1 505 203 51 LEU HB2 H 1.282 0.05 2 506 203 51 LEU HB3 H 1.632 0.05 2 507 203 51 LEU HD1 H 0.862 0.05 2 508 203 51 LEU HD2 H 0.652 0.05 2 509 203 51 LEU HG H 1.300 0.05 1 510 203 51 LEU C C 179.300 0.5 1 511 203 51 LEU CA C 57.743 0.5 1 512 203 51 LEU CB C 41.200 0.5 1 513 203 51 LEU CD1 C 24.400 0.5 1 514 203 51 LEU CD2 C 23.900 0.5 1 515 203 51 LEU CG C 27.200 0.5 1 516 203 51 LEU N N 123.021 0.5 1 517 204 52 GLU H H 8.760 0.05 1 518 204 52 GLU HA H 3.822 0.05 1 519 204 52 GLU HB2 H 1.932 0.05 2 520 204 52 GLU HB3 H 2.072 0.05 2 521 204 52 GLU HG2 H 2.230 0.05 2 522 204 52 GLU HG3 H 2.360 0.05 2 523 204 52 GLU C C 178.800 0.5 1 524 204 52 GLU CA C 60.068 0.5 1 525 204 52 GLU CB C 29.200 0.5 1 526 204 52 GLU CG C 36.700 0.5 1 527 204 52 GLU N N 118.773 0.5 1 528 205 53 GLU H H 7.520 0.05 1 529 205 53 GLU HA H 4.092 0.05 1 530 205 53 GLU HB2 H 2.142 0.05 2 531 205 53 GLU HB3 H 2.282 0.05 2 532 205 53 GLU HG2 H 2.340 0.05 2 533 205 53 GLU HG3 H 2.370 0.05 2 534 205 53 GLU C C 178.600 0.5 1 535 205 53 GLU CA C 58.300 0.5 1 536 205 53 GLU CB C 30.190 0.5 1 537 205 53 GLU CG C 37.200 0.5 1 538 205 53 GLU N N 117.700 0.5 1 539 206 54 ALA H H 7.870 0.05 1 540 206 54 ALA HA H 4.642 0.05 1 541 206 54 ALA HB H 1.482 0.05 1 542 206 54 ALA C C 173.500 0.5 1 543 206 54 ALA CA C 53.000 0.5 1 544 206 54 ALA CB C 21.400 0.5 1 545 206 54 ALA N N 119.533 0.5 1 546 207 55 SER H H 7.600 0.05 1 547 207 55 SER HA H 4.822 0.05 1 548 207 55 SER HB2 H 3.712 0.05 2 549 207 55 SER HB3 H 4.042 0.05 2 550 207 55 SER C C 174.500 0.5 1 551 207 55 SER CA C 58.068 0.5 1 552 207 55 SER CB C 64.500 0.5 1 553 207 55 SER N N 110.255 0.5 1 554 208 56 ASN H H 7.470 0.05 1 555 208 56 ASN HA H 4.692 0.05 1 556 208 56 ASN HB2 H 2.822 0.05 2 557 208 56 ASN HB3 H 2.922 0.05 2 558 208 56 ASN CA C 53.843 0.5 1 559 208 56 ASN CB C 39.500 0.5 1 560 208 56 ASN N N 121.318 0.5 1 561 209 57 ASN H H 8.070 0.05 1 562 209 57 ASN CA C 55.300 0.5 1 563 209 57 ASN CB C 42.100 0.5 1 564 209 57 ASN N N 121.800 0.5 1 565 210 58 CYS HA H 4.302 0.05 1 566 210 58 CYS HB2 H 2.782 0.05 2 567 210 58 CYS HB3 H 2.802 0.05 2 568 210 58 CYS C C 173.600 0.5 1 569 210 58 CYS CA C 58.400 0.5 1 570 210 58 CYS CB C 28.200 0.5 1 571 211 59 ILE H H 8.240 0.05 1 572 211 59 ILE HA H 4.112 0.05 1 573 211 59 ILE HB H 1.442 0.05 1 574 211 59 ILE HD1 H 0.622 0.05 1 575 211 59 ILE HG12 H 0.510 0.05 1 576 211 59 ILE HG13 H 0.510 0.05 1 577 211 59 ILE HG2 H 0.070 0.05 2 578 211 59 ILE C C 173.700 0.5 1 579 211 59 ILE CA C 59.619 0.5 1 580 211 59 ILE CB C 38.351 0.5 1 581 211 59 ILE CD1 C 16.500 0.5 1 582 211 59 ILE CG1 C 26.000 0.5 2 583 211 59 ILE CG2 C 11.200 0.5 1 584 211 59 ILE N N 126.355 0.5 1 585 212 60 ARG H H 8.180 0.05 1 586 212 60 ARG HA H 5.452 0.05 1 587 212 60 ARG HB2 H 1.552 0.05 2 588 212 60 ARG HB3 H 1.732 0.05 2 589 212 60 ARG HD2 H 2.782 0.05 2 590 212 60 ARG HD3 H 2.812 0.05 2 591 212 60 ARG HG2 H 1.350 0.05 2 592 212 60 ARG HG3 H 1.660 0.05 2 593 212 60 ARG C C 175.300 0.5 1 594 212 60 ARG CA C 54.300 0.5 1 595 212 60 ARG CB C 32.400 0.5 1 596 212 60 ARG CD C 43.200 0.5 1 597 212 60 ARG CG C 28.200 0.5 1 598 212 60 ARG N N 127.148 0.5 1 599 213 61 LEU H H 9.360 0.05 1 600 213 61 LEU HA H 4.852 0.05 1 601 213 61 LEU HB2 H 1.572 0.05 2 602 213 61 LEU HB3 H 1.522 0.05 2 603 213 61 LEU HD1 H 0.492 0.05 2 604 213 61 LEU HD2 H 0.732 0.05 2 605 213 61 LEU HG H 1.420 0.05 1 606 213 61 LEU CA C 52.931 0.5 1 607 213 61 LEU CB C 45.437 0.5 1 608 213 61 LEU CD1 C 27.500 0.5 1 609 213 61 LEU CD2 C 23.300 0.5 1 610 213 61 LEU CG C 27.100 0.5 1 611 213 61 LEU N N 126.813 0.5 1 612 214 62 GLU H H 8.230 0.05 1 613 214 62 GLU HA H 4.462 0.05 1 614 214 62 GLU HB2 H 1.872 0.05 2 615 214 62 GLU HB3 H 2.162 0.05 2 616 214 62 GLU HG2 H 2.440 0.05 2 617 214 62 GLU HG3 H 2.450 0.05 2 618 214 62 GLU C C 175.600 0.5 1 619 214 62 GLU CA C 55.903 0.5 1 620 214 62 GLU CB C 30.679 0.5 1 621 214 62 GLU CG C 36.700 0.5 1 622 214 62 GLU N N 119.400 0.5 1 623 215 63 TRP H H 8.610 0.05 1 624 215 63 TRP HA H 4.112 0.05 1 625 215 63 TRP HB2 H 3.042 0.05 2 626 215 63 TRP HB3 H 3.442 0.05 2 627 215 63 TRP HD1 H 7.240 0.05 1 628 215 63 TRP HE1 H 10.210 0.05 3 629 215 63 TRP HH2 H 7.080 0.05 1 630 215 63 TRP HZ2 H 7.470 0.05 3 631 215 63 TRP C C 176.700 0.5 1 632 215 63 TRP CA C 57.904 0.5 1 633 215 63 TRP CB C 29.900 0.5 1 634 215 63 TRP CD1 C 128.000 0.5 3 635 215 63 TRP CH2 C 124.800 0.5 1 636 215 63 TRP CZ2 C 114.700 0.5 3 637 215 63 TRP N N 120.295 0.5 1 638 215 63 TRP NE1 N 129.000 0.5 1 639 216 64 ASN H H 7.960 0.05 1 640 216 64 ASN HA H 3.572 0.05 1 641 216 64 ASN HB2 H 2.402 0.05 2 642 216 64 ASN HB3 H 2.952 0.05 2 643 216 64 ASN C C 173.800 0.5 1 644 216 64 ASN CA C 53.825 0.5 1 645 216 64 ASN CB C 38.600 0.5 1 646 216 64 ASN N N 117.854 0.5 1 647 217 65 LYS H H 7.290 0.05 1 648 217 65 LYS HA H 4.552 0.05 1 649 217 65 LYS HB2 H 1.672 0.05 2 650 217 65 LYS HB3 H 1.762 0.05 2 651 217 65 LYS HD2 H 1.662 0.05 2 652 217 65 LYS HD3 H 1.672 0.05 2 653 217 65 LYS HE2 H 2.872 0.05 2 654 217 65 LYS HE3 H 2.872 0.05 2 655 217 65 LYS HG2 H 1.280 0.05 2 656 217 65 LYS HG3 H 1.360 0.05 2 657 217 65 LYS C C 177.400 0.5 1 658 217 65 LYS CA C 55.673 0.5 1 659 217 65 LYS CB C 34.453 0.5 1 660 217 65 LYS CD C 29.500 0.5 1 661 217 65 LYS CE C 42.100 0.5 1 662 217 65 LYS CG C 25.500 0.5 1 663 217 65 LYS N N 118.427 0.5 1 664 218 66 GLY H H 8.630 0.05 1 665 218 66 GLY HA2 H 4.172 0.05 2 666 218 66 GLY HA3 H 4.612 0.05 2 667 218 66 GLY C C 174.600 0.5 1 668 218 66 GLY CA C 45.827 0.5 1 669 218 66 GLY N N 111.921 0.5 1 670 219 67 ILE H H 10.210 0.05 1 671 219 67 ILE HA H 3.542 0.05 1 672 219 67 ILE HB H 2.682 0.05 1 673 219 67 ILE HD1 H 0.832 0.05 1 674 219 67 ILE HG12 H 1.040 0.05 1 675 219 67 ILE HG13 H 1.400 0.05 1 676 219 67 ILE HG2 H 0.710 0.05 2 677 219 67 ILE C C 179.400 0.5 1 678 219 67 ILE CA C 64.063 0.5 1 679 219 67 ILE CB C 34.732 0.5 1 680 219 67 ILE CD1 C 17.700 0.5 1 681 219 67 ILE CG1 C 29.200 0.5 2 682 219 67 ILE CG2 C 11.300 0.5 1 683 219 67 ILE N N 125.645 0.5 1 684 220 68 VAL H H 9.550 0.05 1 685 220 68 VAL HA H 3.782 0.05 1 686 220 68 VAL HB H 1.962 0.05 1 687 220 68 VAL HG1 H 0.440 0.05 2 688 220 68 VAL HG2 H 0.650 0.05 2 689 220 68 VAL C C 175.700 0.5 1 690 220 68 VAL CA C 64.400 0.5 1 691 220 68 VAL CB C 30.300 0.5 1 692 220 68 VAL CG1 C 21.300 0.5 1 693 220 68 VAL CG2 C 21.100 0.5 1 694 220 68 VAL N N 119.149 0.5 1 695 221 69 GLY H H 6.800 0.05 1 696 221 69 GLY HA2 H 3.412 0.05 2 697 221 69 GLY HA3 H 3.502 0.05 2 698 221 69 GLY C C 176.700 0.5 1 699 221 69 GLY CA C 45.653 0.5 1 700 221 69 GLY N N 108.008 0.5 1 701 222 70 HIS H H 8.100 0.05 1 702 222 70 HIS HA H 4.162 0.05 1 703 222 70 HIS HB2 H 3.142 0.05 2 704 222 70 HIS HB3 H 3.252 0.05 2 705 222 70 HIS C C 177.700 0.5 1 706 222 70 HIS CA C 60.762 0.5 1 707 222 70 HIS CB C 30.600 0.5 1 708 222 70 HIS N N 124.828 0.5 1 709 223 71 VAL H H 8.220 0.05 1 710 223 71 VAL HA H 3.922 0.05 1 711 223 71 VAL HB H 2.032 0.05 1 712 223 71 VAL HG1 H 0.740 0.05 2 713 223 71 VAL HG2 H 1.280 0.05 2 714 223 71 VAL C C 178.700 0.5 1 715 223 71 VAL CA C 66.642 0.5 1 716 223 71 VAL CB C 31.400 0.5 1 717 223 71 VAL CG1 C 21.700 0.5 1 718 223 71 VAL CG2 C 23.600 0.5 1 719 223 71 VAL N N 119.918 0.5 1 720 224 72 ALA H H 7.930 0.05 1 721 224 72 ALA HA H 3.842 0.05 1 722 224 72 ALA HB H 1.072 0.05 1 723 224 72 ALA C C 177.000 0.5 1 724 224 72 ALA CA C 54.500 0.5 1 725 224 72 ALA CB C 18.500 0.5 1 726 224 72 ALA N N 119.493 0.5 1 727 225 73 ALA H H 7.230 0.05 1 728 225 73 ALA HA H 4.052 0.05 1 729 225 73 ALA HB H 0.692 0.05 1 730 225 73 ALA CA C 53.784 0.5 1 731 225 73 ALA CB C 18.600 0.5 1 732 225 73 ALA N N 114.925 0.5 1 733 226 74 PHE H H 8.190 0.05 1 734 226 74 PHE HA H 4.602 0.05 1 735 226 74 PHE HB2 H 2.802 0.05 2 736 226 74 PHE HB3 H 3.162 0.05 2 737 226 74 PHE HD1 H 7.060 0.05 3 738 226 74 PHE HE1 H 7.280 0.05 3 739 226 74 PHE C C 178.000 0.5 1 740 226 74 PHE CA C 58.582 0.5 1 741 226 74 PHE CB C 39.354 0.5 1 742 226 74 PHE CD1 C 131.900 0.5 3 743 226 74 PHE CE1 C 131.400 0.5 3 744 226 74 PHE N N 113.595 0.5 1 745 227 75 GLY H H 8.490 0.05 1 746 227 75 GLY HA2 H 3.592 0.05 2 747 227 75 GLY HA3 H 4.002 0.05 2 748 227 75 GLY C C 172.500 0.5 1 749 227 75 GLY CA C 46.859 0.5 1 750 227 75 GLY N N 108.034 0.5 1 751 228 76 GLU H H 7.180 0.05 1 752 228 76 GLU HA H 5.099 0.05 1 753 228 76 GLU HB2 H 1.842 0.05 2 754 228 76 GLU HB3 H 2.142 0.05 2 755 228 76 GLU HG2 H 2.250 0.05 2 756 228 76 GLU HG3 H 2.350 0.05 2 757 228 76 GLU CA C 52.100 0.5 1 758 228 76 GLU CB C 31.454 0.5 1 759 228 76 GLU CG C 35.300 0.5 1 760 228 76 GLU N N 117.487 0.5 1 761 229 77 PRO HA H 4.912 0.05 1 762 229 77 PRO HB2 H 2.072 0.05 2 763 229 77 PRO HB3 H 2.502 0.05 2 764 229 77 PRO HD2 H 3.832 0.05 2 765 229 77 PRO HD3 H 3.942 0.05 2 766 229 77 PRO HG2 H 2.270 0.05 2 767 229 77 PRO HG3 H 2.130 0.05 2 768 229 77 PRO C C 175.700 0.5 1 769 229 77 PRO CA C 62.400 0.5 1 770 229 77 PRO CB C 34.200 0.5 1 771 229 77 PRO CD C 50.900 0.5 1 772 229 77 PRO CG C 27.600 0.5 1 773 230 78 LEU H H 8.570 0.05 1 774 230 78 LEU HA H 4.762 0.05 1 775 230 78 LEU HB2 H 1.222 0.05 2 776 230 78 LEU HB3 H 1.372 0.05 2 777 230 78 LEU HD1 H 0.802 0.05 2 778 230 78 LEU HD2 H 0.922 0.05 2 779 230 78 LEU HG H 1.680 0.05 1 780 230 78 LEU C C 174.100 0.5 1 781 230 78 LEU CA C 54.117 0.5 1 782 230 78 LEU CB C 47.138 0.5 1 783 230 78 LEU CD1 C 26.100 0.5 1 784 230 78 LEU CD2 C 23.700 0.5 1 785 230 78 LEU CG C 27.000 0.5 1 786 230 78 LEU N N 118.034 0.5 1 787 231 79 ASN H H 8.380 0.05 1 788 231 79 ASN HA H 5.172 0.05 1 789 231 79 ASN HB2 H 2.452 0.05 2 790 231 79 ASN HB3 H 3.112 0.05 2 791 231 79 ASN C C 174.800 0.5 1 792 231 79 ASN CA C 51.901 0.5 1 793 231 79 ASN CB C 39.000 0.5 1 794 231 79 ASN N N 121.187 0.5 1 795 232 80 ILE H H 9.600 0.05 1 796 232 80 ILE HA H 4.462 0.05 1 797 232 80 ILE HB H 2.192 0.05 1 798 232 80 ILE HD1 H 0.832 0.05 1 799 232 80 ILE HG12 H 1.480 0.05 1 800 232 80 ILE HG2 H 0.750 0.05 2 801 232 80 ILE C C 177.300 0.5 1 802 232 80 ILE CA C 57.707 0.5 1 803 232 80 ILE CB C 38.564 0.5 1 804 232 80 ILE CD1 C 16.900 0.5 1 805 232 80 ILE CG1 C 26.800 0.5 2 806 232 80 ILE CG2 C 10.900 0.5 1 807 232 80 ILE N N 124.790 0.5 1 808 233 81 LYS H H 8.970 0.05 1 809 233 81 LYS HA H 4.222 0.05 1 810 233 81 LYS HB2 H 1.882 0.05 2 811 233 81 LYS HB3 H 1.882 0.05 2 812 233 81 LYS HD2 H 1.752 0.05 2 813 233 81 LYS HD3 H 1.752 0.05 2 814 233 81 LYS HE2 H 3.042 0.05 2 815 233 81 LYS HE3 H 3.042 0.05 2 816 233 81 LYS HG2 H 1.450 0.05 2 817 233 81 LYS HG3 H 1.590 0.05 2 818 233 81 LYS C C 175.300 0.5 1 819 233 81 LYS CA C 59.247 0.5 1 820 233 81 LYS CB C 33.247 0.5 1 821 233 81 LYS CD C 29.500 0.5 1 822 233 81 LYS CE C 42.200 0.5 1 823 233 81 LYS CG C 25.500 0.5 1 824 233 81 LYS N N 129.950 0.5 1 825 234 82 ASP H H 7.350 0.05 1 826 234 82 ASP HA H 4.732 0.05 1 827 234 82 ASP HB2 H 2.342 0.05 2 828 234 82 ASP HB3 H 2.692 0.05 2 829 234 82 ASP C C 177.000 0.5 1 830 234 82 ASP CA C 52.626 0.5 1 831 234 82 ASP CB C 41.620 0.5 1 832 234 82 ASP N N 115.001 0.5 1 833 235 83 ALA H H 9.490 0.05 1 834 235 83 ALA HA H 3.342 0.05 1 835 235 83 ALA HB H 0.242 0.05 1 836 235 83 ALA C C 177.300 0.5 1 837 235 83 ALA CA C 55.908 0.5 1 838 235 83 ALA CB C 17.400 0.5 1 839 235 83 ALA N N 130.800 0.5 1 840 236 84 TYR H H 7.850 0.05 1 841 236 84 TYR HA H 3.952 0.05 1 842 236 84 TYR HB2 H 3.102 0.05 2 843 236 84 TYR HB3 H 3.112 0.05 2 844 236 84 TYR HD1 H 7.140 0.05 3 845 236 84 TYR HE1 H 6.820 0.05 3 846 236 84 TYR C C 177.800 0.5 1 847 236 84 TYR CA C 61.569 0.5 1 848 236 84 TYR CB C 37.681 0.5 1 849 236 84 TYR CD1 C 133.300 0.5 3 850 236 84 TYR CE1 C 118.400 0.5 3 851 236 84 TYR N N 110.281 0.5 1 852 237 85 GLU H H 7.470 0.05 1 853 237 85 GLU HA H 4.482 0.05 1 854 237 85 GLU HB2 H 1.842 0.05 2 855 237 85 GLU HB3 H 2.332 0.05 2 856 237 85 GLU HG2 H 2.180 0.05 2 857 237 85 GLU HG3 H 2.310 0.05 2 858 237 85 GLU C C 175.900 0.5 1 859 237 85 GLU CA C 55.581 0.5 1 860 237 85 GLU CB C 30.800 0.5 1 861 237 85 GLU CG C 36.100 0.5 1 862 237 85 GLU N N 116.789 0.5 1 863 238 86 ASP H H 7.890 0.05 1 864 238 86 ASP HA H 5.102 0.05 1 865 238 86 ASP HB2 H 2.272 0.05 2 866 238 86 ASP HB3 H 3.052 0.05 2 867 238 86 ASP CA C 51.616 0.5 1 868 238 86 ASP CB C 44.906 0.5 1 869 238 86 ASP N N 124.058 0.5 1 870 239 87 PRO HA H 4.532 0.05 1 871 239 87 PRO HB2 H 2.032 0.05 2 872 239 87 PRO HB3 H 2.412 0.05 2 873 239 87 PRO HD2 H 3.842 0.05 2 874 239 87 PRO HD3 H 3.992 0.05 2 875 239 87 PRO HG2 H 1.950 0.05 2 876 239 87 PRO HG3 H 2.090 0.05 2 877 239 87 PRO C C 177.400 0.5 1 878 239 87 PRO CA C 64.200 0.5 1 879 239 87 PRO CB C 32.133 0.5 1 880 239 87 PRO CD C 51.300 0.5 1 881 239 87 PRO CG C 27.400 0.5 1 882 240 88 ARG H H 9.110 0.05 1 883 240 88 ARG HA H 4.122 0.05 1 884 240 88 ARG C C 176.400 0.5 1 885 240 88 ARG CA C 56.348 0.5 1 886 240 88 ARG CB C 30.619 0.5 1 887 240 88 ARG CD C 42.900 0.5 1 888 240 88 ARG CG C 25.200 0.5 1 889 240 88 ARG N N 118.010 0.5 1 890 241 89 PHE H H 7.280 0.05 1 891 241 89 PHE HA H 4.282 0.05 1 892 241 89 PHE HB2 H 3.022 0.05 2 893 241 89 PHE HB3 H 3.242 0.05 2 894 241 89 PHE HD1 H 7.380 0.05 3 895 241 89 PHE C C 174.800 0.5 1 896 241 89 PHE CA C 57.100 0.5 1 897 241 89 PHE CB C 41.318 0.5 1 898 241 89 PHE CD1 C 131.500 0.5 3 899 241 89 PHE N N 117.771 0.5 1 900 242 90 ASN H H 8.790 0.05 1 901 242 90 ASN HA H 4.622 0.05 1 902 242 90 ASN HB2 H 2.242 0.05 2 903 242 90 ASN HB3 H 3.362 0.05 2 904 242 90 ASN C C 172.900 0.5 1 905 242 90 ASN CA C 50.758 0.5 1 906 242 90 ASN CB C 38.400 0.5 1 907 242 90 ASN N N 127.659 0.5 1 908 243 91 ALA H H 7.820 0.05 1 909 243 91 ALA HA H 3.782 0.05 1 910 243 91 ALA HB H 1.362 0.05 1 911 243 91 ALA C C 177.600 0.5 1 912 243 91 ALA CA C 52.800 0.5 1 913 243 91 ALA CB C 18.800 0.5 1 914 243 91 ALA N N 125.264 0.5 1 915 244 92 GLU H H 7.610 0.05 1 916 244 92 GLU HA H 3.942 0.05 1 917 244 92 GLU HB2 H 2.012 0.05 2 918 244 92 GLU HB3 H 2.142 0.05 2 919 244 92 GLU HG2 H 2.280 0.05 2 920 244 92 GLU HG3 H 2.380 0.05 2 921 244 92 GLU C C 178.600 0.5 1 922 244 92 GLU CA C 58.939 0.5 1 923 244 92 GLU CB C 30.200 0.5 1 924 244 92 GLU CG C 36.800 0.5 1 925 244 92 GLU N N 115.628 0.5 1 926 245 93 VAL H H 6.620 0.05 1 927 245 93 VAL HA H 3.822 0.05 1 928 245 93 VAL HB H 2.582 0.05 1 929 245 93 VAL HG1 H 0.930 0.05 2 930 245 93 VAL HG2 H 1.270 0.05 2 931 245 93 VAL C C 178.200 0.5 1 932 245 93 VAL CA C 67.200 0.5 1 933 245 93 VAL CB C 31.100 0.5 1 934 245 93 VAL CG1 C 23.500 0.5 1 935 245 93 VAL CG2 C 22.300 0.5 1 936 245 93 VAL N N 118.177 0.5 1 937 246 94 ASP H H 9.660 0.05 1 938 246 94 ASP HA H 4.672 0.05 1 939 246 94 ASP HB2 H 3.132 0.05 2 940 246 94 ASP HB3 H 3.092 0.05 2 941 246 94 ASP C C 179.800 0.5 1 942 246 94 ASP CA C 56.938 0.5 1 943 246 94 ASP CB C 40.489 0.5 1 944 246 94 ASP N N 124.605 0.5 1 945 247 95 GLN H H 7.560 0.05 1 946 247 95 GLN HA H 4.162 0.05 1 947 247 95 GLN HB2 H 2.262 0.05 2 948 247 95 GLN HB3 H 2.332 0.05 2 949 247 95 GLN HG2 H 2.530 0.05 2 950 247 95 GLN HG3 H 2.640 0.05 2 951 247 95 GLN CA C 58.473 0.5 1 952 247 95 GLN CB C 28.400 0.5 1 953 247 95 GLN CG C 34.200 0.5 1 954 247 95 GLN N N 116.148 0.5 1 955 248 96 ILE H H 7.870 0.05 1 956 248 96 ILE HA H 4.112 0.05 1 957 248 96 ILE HB H 2.192 0.05 1 958 248 96 ILE HD1 H 0.982 0.05 1 959 248 96 ILE HG12 H 1.290 0.05 1 960 248 96 ILE HG13 H 1.830 0.05 1 961 248 96 ILE HG2 H 0.890 0.05 2 962 248 96 ILE C C 178.700 0.5 1 963 248 96 ILE CA C 63.500 0.5 1 964 248 96 ILE CB C 39.101 0.5 1 965 248 96 ILE CD1 C 17.200 0.5 1 966 248 96 ILE CG1 C 28.400 0.5 2 967 248 96 ILE CG2 C 13.500 0.5 1 968 248 96 ILE N N 118.806 0.5 1 969 249 97 THR H H 9.210 0.05 1 970 249 97 THR HA H 4.262 0.05 1 971 249 97 THR HB H 4.632 0.05 1 972 249 97 THR HG2 H 1.550 0.05 1 973 249 97 THR C C 177.900 0.5 1 974 249 97 THR CA C 63.543 0.5 1 975 249 97 THR CB C 70.500 0.5 1 976 249 97 THR CG2 C 21.400 0.5 1 977 249 97 THR N N 111.222 0.5 1 978 250 98 GLY H H 8.530 0.05 1 979 250 98 GLY HA2 H 3.882 0.05 2 980 250 98 GLY HA3 H 4.282 0.05 2 981 250 98 GLY C C 173.200 0.5 1 982 250 98 GLY CA C 45.756 0.5 1 983 250 98 GLY N N 111.696 0.5 1 984 251 99 TYR H H 8.430 0.05 1 985 251 99 TYR HA H 4.342 0.05 1 986 251 99 TYR HB2 H 3.002 0.05 2 987 251 99 TYR HB3 H 3.242 0.05 2 988 251 99 TYR HD1 H 7.080 0.05 3 989 251 99 TYR HE1 H 6.630 0.05 3 990 251 99 TYR C C 172.600 0.5 1 991 251 99 TYR CA C 57.975 0.5 1 992 251 99 TYR CB C 40.861 0.5 1 993 251 99 TYR CD1 C 133.800 0.5 3 994 251 99 TYR CE1 C 118.100 0.5 3 995 251 99 TYR N N 125.246 0.5 1 996 252 100 LYS H H 6.240 0.05 1 997 252 100 LYS HA H 4.832 0.05 1 998 252 100 LYS HB2 H 1.402 0.05 2 999 252 100 LYS HB3 H 1.582 0.05 2 1000 252 100 LYS HD2 H 1.532 0.05 2 1001 252 100 LYS HD3 H 1.532 0.05 2 1002 252 100 LYS HE2 H 2.552 0.05 2 1003 252 100 LYS HE3 H 2.582 0.05 2 1004 252 100 LYS HG2 H 1.100 0.05 2 1005 252 100 LYS HG3 H 1.150 0.05 2 1006 252 100 LYS C C 175.100 0.5 1 1007 252 100 LYS CA C 53.676 0.5 1 1008 252 100 LYS CB C 33.028 0.5 1 1009 252 100 LYS CD C 28.700 0.5 1 1010 252 100 LYS CE C 41.700 0.5 1 1011 252 100 LYS CG C 25.000 0.5 1 1012 252 100 LYS N N 122.828 0.5 1 1013 253 101 THR H H 10.940 0.05 1 1014 253 101 THR HA H 3.772 0.05 1 1015 253 101 THR HB H 4.612 0.05 1 1016 253 101 THR HG2 H 1.060 0.05 1 1017 253 101 THR C C 172.900 0.5 1 1018 253 101 THR CA C 65.999 0.5 1 1019 253 101 THR CB C 68.200 0.5 1 1020 253 101 THR CG2 C 21.500 0.5 1 1021 253 101 THR N N 130.637 0.5 1 1022 254 102 GLN H H 9.890 0.05 1 1023 254 102 GLN HA H 4.792 0.05 1 1024 254 102 GLN HB2 H 1.972 0.05 2 1025 254 102 GLN HB3 H 2.222 0.05 2 1026 254 102 GLN HG2 H 2.290 0.05 2 1027 254 102 GLN HG3 H 2.400 0.05 2 1028 254 102 GLN C C 174.000 0.5 1 1029 254 102 GLN CA C 57.432 0.5 1 1030 254 102 GLN CB C 30.500 0.5 1 1031 254 102 GLN CG C 34.000 0.5 1 1032 254 102 GLN N N 127.234 0.5 1 1033 255 103 SER H H 8.050 0.05 1 1034 255 103 SER HA H 5.002 0.05 1 1035 255 103 SER HB2 H 4.162 0.05 2 1036 255 103 SER HB3 H 4.212 0.05 2 1037 255 103 SER C C 174.800 0.5 1 1038 255 103 SER CA C 55.372 0.5 1 1039 255 103 SER CB C 65.892 0.5 1 1040 255 103 SER N N 111.549 0.5 1 1041 256 104 ILE H H 8.690 0.05 1 1042 256 104 ILE HA H 5.002 0.05 1 1043 256 104 ILE HB H 1.492 0.05 1 1044 256 104 ILE HD1 H 0.862 0.05 1 1045 256 104 ILE HG12 H 0.860 0.05 1 1046 256 104 ILE HG13 H 1.370 0.05 1 1047 256 104 ILE HG2 H 0.890 0.05 2 1048 256 104 ILE C C 173.100 0.5 1 1049 256 104 ILE CA C 60.730 0.5 1 1050 256 104 ILE CB C 44.700 0.5 1 1051 256 104 ILE CD1 C 18.000 0.5 1 1052 256 104 ILE CG1 C 27.200 0.5 2 1053 256 104 ILE CG2 C 15.300 0.5 1 1054 256 104 ILE N N 118.341 0.5 1 1055 257 105 LEU H H 8.860 0.05 1 1056 257 105 LEU HA H 4.962 0.05 1 1057 257 105 LEU HB2 H 0.352 0.05 2 1058 257 105 LEU HB3 H 0.912 0.05 2 1059 257 105 LEU HD1 H 0.862 0.05 2 1060 257 105 LEU HD2 H 0.572 0.05 2 1061 257 105 LEU HG H 1.260 0.05 1 1062 257 105 LEU C C 174.600 0.5 1 1063 257 105 LEU CA C 53.402 0.5 1 1064 257 105 LEU CB C 42.675 0.5 1 1065 257 105 LEU CD1 C 23.500 0.5 1 1066 257 105 LEU CD2 C 26.400 0.5 1 1067 257 105 LEU CG C 27.400 0.5 1 1068 257 105 LEU N N 128.630 0.5 1 1069 258 106 CYS H H 9.270 0.05 1 1070 258 106 CYS HA H 5.662 0.05 1 1071 258 106 CYS HB2 H 2.642 0.05 2 1072 258 106 CYS HB3 H 2.702 0.05 2 1073 258 106 CYS C C 172.500 0.5 1 1074 258 106 CYS CA C 56.500 0.5 1 1075 258 106 CYS CB C 29.359 0.5 1 1076 258 106 CYS N N 127.307 0.5 1 1077 259 107 MET H H 8.970 0.05 1 1078 259 107 MET HA H 5.242 0.05 1 1079 259 107 MET HB2 H 1.522 0.05 2 1080 259 107 MET HB3 H 2.062 0.05 2 1081 259 107 MET HG2 H 2.400 0.05 2 1082 259 107 MET HG3 H 2.280 0.05 2 1083 259 107 MET CA C 51.769 0.5 1 1084 259 107 MET CB C 35.900 0.5 1 1085 259 107 MET CG C 33.100 0.5 1 1086 259 107 MET N N 125.033 0.5 1 1087 260 108 PRO HA H 4.752 0.05 1 1088 260 108 PRO HB2 H 1.782 0.05 2 1089 260 108 PRO HB3 H 1.962 0.05 2 1090 260 108 PRO HD2 H 3.362 0.05 2 1091 260 108 PRO HD3 H 3.952 0.05 2 1092 260 108 PRO CA C 61.900 0.5 1 1093 260 108 PRO CB C 32.800 0.5 1 1094 260 108 PRO CD C 49.900 0.5 1 1095 260 108 PRO CG C 25.200 0.5 1 1096 261 109 ILE H H 8.400 0.05 1 1097 261 109 ILE HA H 4.202 0.05 1 1098 261 109 ILE HB H 1.322 0.05 1 1099 261 109 ILE HD1 H 0.742 0.05 1 1100 261 109 ILE HG12 H 0.860 0.05 1 1101 261 109 ILE HG13 H 1.420 0.05 1 1102 261 109 ILE HG2 H 0.740 0.05 2 1103 261 109 ILE C C 175.200 0.5 1 1104 261 109 ILE CA C 60.800 0.5 1 1105 261 109 ILE CB C 39.100 0.5 1 1106 261 109 ILE CD1 C 18.000 0.5 1 1107 261 109 ILE CG1 C 27.500 0.5 2 1108 261 109 ILE CG2 C 15.000 0.5 1 1109 261 109 ILE N N 119.837 0.5 1 1110 262 110 LYS H H 8.710 0.05 1 1111 262 110 LYS HA H 5.602 0.05 1 1112 262 110 LYS HB2 H 1.652 0.05 2 1113 262 110 LYS HB3 H 1.792 0.05 2 1114 262 110 LYS HD2 H 1.582 0.05 2 1115 262 110 LYS HD3 H 1.672 0.05 2 1116 262 110 LYS HE2 H 2.832 0.05 2 1117 262 110 LYS HE3 H 2.872 0.05 2 1118 262 110 LYS HG2 H 1.080 0.05 2 1119 262 110 LYS HG3 H 1.220 0.05 2 1120 262 110 LYS C C 173.500 0.5 1 1121 262 110 LYS CA C 54.474 0.5 1 1122 262 110 LYS CB C 36.398 0.5 1 1123 262 110 LYS CD C 29.900 0.5 1 1124 262 110 LYS CE C 42.400 0.5 1 1125 262 110 LYS CG C 26.900 0.5 1 1126 262 110 LYS N N 126.157 0.5 1 1127 263 111 ASN H H 8.230 0.05 1 1128 263 111 ASN HA H 4.832 0.05 1 1129 263 111 ASN HB2 H 2.752 0.05 2 1130 263 111 ASN HB3 H 3.662 0.05 2 1131 263 111 ASN CA C 50.615 0.5 1 1132 263 111 ASN CB C 39.446 0.5 1 1133 263 111 ASN N N 117.157 0.5 1 1134 264 112 HIS HA H 4.622 0.05 1 1135 264 112 HIS HB2 H 3.022 0.05 2 1136 264 112 HIS HB3 H 3.122 0.05 2 1137 264 112 HIS HD2 H 7.042 0.05 3 1138 264 112 HIS C C 174.000 0.5 1 1139 264 112 HIS CA C 56.200 0.5 1 1140 264 112 HIS CB C 30.500 0.5 1 1141 264 112 HIS CD2 C 120.050 0.5 1 1142 265 113 ARG H H 7.930 0.05 1 1143 265 113 ARG HA H 4.412 0.05 1 1144 265 113 ARG HB2 H 1.532 0.05 2 1145 265 113 ARG HB3 H 1.962 0.05 2 1146 265 113 ARG HD2 H 3.122 0.05 2 1147 265 113 ARG HD3 H 3.172 0.05 2 1148 265 113 ARG HG2 H 1.060 0.05 2 1149 265 113 ARG HG3 H 1.280 0.05 2 1150 265 113 ARG C C 175.000 0.5 1 1151 265 113 ARG CA C 55.100 0.5 1 1152 265 113 ARG CB C 30.300 0.5 1 1153 265 113 ARG CD C 43.400 0.5 1 1154 265 113 ARG CG C 27.500 0.5 1 1155 265 113 ARG N N 125.226 0.5 1 1156 266 114 GLU H H 8.080 0.05 1 1157 266 114 GLU HA H 3.732 0.05 1 1158 266 114 GLU HB2 H 2.352 0.05 2 1159 266 114 GLU HB3 H 2.382 0.05 2 1160 266 114 GLU HG2 H 2.230 0.05 2 1161 266 114 GLU HG3 H 2.140 0.05 2 1162 266 114 GLU C C 174.800 0.5 1 1163 266 114 GLU CA C 58.052 0.5 1 1164 266 114 GLU CB C 26.601 0.5 1 1165 266 114 GLU CG C 36.700 0.5 1 1166 266 114 GLU N N 111.744 0.5 1 1167 267 115 GLU H H 7.690 0.05 1 1168 267 115 GLU HA H 4.392 0.05 1 1169 267 115 GLU HB2 H 1.822 0.05 2 1170 267 115 GLU HB3 H 1.942 0.05 2 1171 267 115 GLU HG2 H 2.180 0.05 2 1172 267 115 GLU HG3 H 2.180 0.05 2 1173 267 115 GLU C C 176.700 0.5 1 1174 267 115 GLU CA C 54.401 0.5 1 1175 267 115 GLU CB C 30.231 0.5 1 1176 267 115 GLU CG C 36.100 0.5 1 1177 267 115 GLU N N 118.221 0.5 1 1178 268 116 VAL H H 8.870 0.05 1 1179 268 116 VAL HA H 4.092 0.05 1 1180 268 116 VAL HB H 2.292 0.05 1 1181 268 116 VAL HG1 H 0.990 0.05 2 1182 268 116 VAL HG2 H 1.080 0.05 2 1183 268 116 VAL C C 176.500 0.5 1 1184 268 116 VAL CA C 64.112 0.5 1 1185 268 116 VAL CB C 31.300 0.5 1 1186 268 116 VAL CG1 C 22.100 0.5 1 1187 268 116 VAL CG2 C 22.500 0.5 1 1188 268 116 VAL N N 122.496 0.5 1 1189 269 117 VAL H H 8.930 0.05 1 1190 269 117 VAL HA H 4.602 0.05 1 1191 269 117 VAL HB H 2.322 0.05 1 1192 269 117 VAL HG1 H 0.780 0.05 2 1193 269 117 VAL HG2 H 0.980 0.05 2 1194 269 117 VAL C C 176.500 0.5 1 1195 269 117 VAL CA C 61.207 0.5 1 1196 269 117 VAL CB C 32.801 0.5 1 1197 269 117 VAL CG1 C 19.100 0.5 1 1198 269 117 VAL CG2 C 22.100 0.5 1 1199 269 117 VAL N N 121.422 0.5 1 1200 270 118 GLY H H 8.110 0.05 1 1201 270 118 GLY HA2 H 4.022 0.05 2 1202 270 118 GLY HA3 H 4.732 0.05 2 1203 270 118 GLY C C 169.900 0.5 1 1204 270 118 GLY CA C 45.347 0.5 1 1205 270 118 GLY N N 108.446 0.5 1 1206 271 119 VAL H H 9.610 0.05 1 1207 271 119 VAL HA H 4.732 0.05 1 1208 271 119 VAL HB H 1.792 0.05 1 1209 271 119 VAL HG1 H 0.790 0.05 2 1210 271 119 VAL HG2 H 0.940 0.05 2 1211 271 119 VAL C C 172.900 0.5 1 1212 271 119 VAL CA C 61.500 0.5 1 1213 271 119 VAL CB C 36.700 0.5 1 1214 271 119 VAL CG1 C 22.100 0.5 1 1215 271 119 VAL CG2 C 24.500 0.5 1 1216 271 119 VAL N N 118.357 0.5 1 1217 272 120 ALA H H 9.030 0.05 1 1218 272 120 ALA HA H 6.002 0.05 1 1219 272 120 ALA HB H 1.692 0.05 1 1220 272 120 ALA C C 176.500 0.5 1 1221 272 120 ALA CA C 49.900 0.5 1 1222 272 120 ALA CB C 25.300 0.5 1 1223 272 120 ALA N N 128.214 0.5 1 1224 273 121 GLN H H 9.190 0.05 1 1225 273 121 GLN HA H 5.672 0.05 1 1226 273 121 GLN HB2 H 1.732 0.05 2 1227 273 121 GLN HB3 H 2.582 0.05 2 1228 273 121 GLN HG2 H 2.140 0.05 2 1229 273 121 GLN HG3 H 2.450 0.05 2 1230 273 121 GLN C C 173.600 0.5 1 1231 273 121 GLN CA C 55.399 0.5 1 1232 273 121 GLN CB C 32.500 0.5 1 1233 273 121 GLN CG C 36.400 0.5 1 1234 273 121 GLN N N 119.127 0.5 1 1235 274 122 ALA H H 8.630 0.05 1 1236 274 122 ALA HA H 4.722 0.05 1 1237 274 122 ALA HB H 0.672 0.05 1 1238 274 122 ALA C C 175.100 0.5 1 1239 274 122 ALA CA C 50.115 0.5 1 1240 274 122 ALA CB C 21.600 0.5 1 1241 274 122 ALA N N 123.331 0.5 1 1242 275 123 ILE H H 8.710 0.05 1 1243 275 123 ILE HA H 4.942 0.05 1 1244 275 123 ILE HB H 1.552 0.05 1 1245 275 123 ILE HD1 H 0.972 0.05 1 1246 275 123 ILE HG12 H 0.600 0.05 1 1247 275 123 ILE HG13 H 0.730 0.05 1 1248 275 123 ILE HG2 H 0.160 0.05 2 1249 275 123 ILE C C 175.600 0.5 1 1250 275 123 ILE CA C 59.047 0.5 1 1251 275 123 ILE CB C 40.026 0.5 1 1252 275 123 ILE CD1 C 19.600 0.5 1 1253 275 123 ILE CG1 C 27.100 0.5 2 1254 275 123 ILE CG2 C 12.100 0.5 1 1255 275 123 ILE N N 121.184 0.5 1 1256 276 124 ASN H H 9.350 0.05 1 1257 276 124 ASN HA H 4.642 0.05 1 1258 276 124 ASN HB2 H 2.732 0.05 2 1259 276 124 ASN HB3 H 3.562 0.05 2 1260 276 124 ASN C C 173.200 0.5 1 1261 276 124 ASN CA C 53.515 0.5 1 1262 276 124 ASN CB C 35.200 0.5 1 1263 276 124 ASN N N 121.603 0.5 1 1264 277 125 LYS H H 6.500 0.05 1 1265 277 125 LYS HA H 3.512 0.05 1 1266 277 125 LYS C C 176.600 0.5 1 1267 277 125 LYS CA C 56.268 0.5 1 1268 277 125 LYS CB C 31.444 0.5 1 1269 277 125 LYS CD C 26.900 0.5 1 1270 277 125 LYS CE C 42.100 0.5 1 1271 277 125 LYS CG C 23.500 0.5 1 1272 277 125 LYS N N 123.377 0.5 1 1273 278 126 LYS H H 8.790 0.05 1 1274 278 126 LYS HA H 4.422 0.05 1 1275 278 126 LYS HB2 H 1.812 0.05 2 1276 278 126 LYS HB3 H 1.812 0.05 2 1277 278 126 LYS HD2 H 1.722 0.05 2 1278 278 126 LYS HD3 H 1.772 0.05 2 1279 278 126 LYS HE2 H 3.052 0.05 2 1280 278 126 LYS HE3 H 3.052 0.05 2 1281 278 126 LYS HG2 H 1.480 0.05 2 1282 278 126 LYS HG3 H 1.550 0.05 2 1283 278 126 LYS C C 176.500 0.5 1 1284 278 126 LYS CA C 56.496 0.5 1 1285 278 126 LYS CB C 31.739 0.5 1 1286 278 126 LYS CD C 29.300 0.5 1 1287 278 126 LYS CE C 41.600 0.5 1 1288 278 126 LYS CG C 24.800 0.5 1 1289 278 126 LYS N N 128.406 0.5 1 1290 279 127 SER H H 8.060 0.05 1 1291 279 127 SER HA H 4.512 0.05 1 1292 279 127 SER HB2 H 3.662 0.05 2 1293 279 127 SER HB3 H 3.742 0.05 2 1294 279 127 SER C C 176.500 0.5 1 1295 279 127 SER CA C 56.900 0.5 1 1296 279 127 SER CB C 63.735 0.5 1 1297 279 127 SER N N 117.105 0.5 1 1298 280 128 GLY H H 8.170 0.05 1 1299 280 128 GLY HA2 H 3.722 0.05 2 1300 280 128 GLY HA3 H 4.112 0.05 2 1301 280 128 GLY C C 173.000 0.5 1 1302 280 128 GLY CA C 45.100 0.5 1 1303 280 128 GLY N N 113.188 0.5 1 1304 281 129 ASN H H 7.910 0.05 1 1305 281 129 ASN HA H 4.532 0.05 1 1306 281 129 ASN HB2 H 2.752 0.05 2 1307 281 129 ASN HB3 H 2.862 0.05 2 1308 281 129 ASN C C 174.700 0.5 1 1309 281 129 ASN CA C 53.902 0.5 1 1310 281 129 ASN CB C 40.024 0.5 1 1311 281 129 ASN N N 123.605 0.5 1 1312 282 130 GLY H H 7.910 0.05 1 1313 282 130 GLY HA2 H 3.722 0.05 2 1314 282 130 GLY HA3 H 4.142 0.05 2 1315 282 130 GLY C C 175.000 0.5 1 1316 282 130 GLY CA C 45.319 0.5 1 1317 282 130 GLY N N 108.689 0.5 1 1318 283 131 GLY H H 7.960 0.05 1 1319 283 131 GLY HA2 H 3.862 0.05 2 1320 283 131 GLY HA3 H 3.732 0.05 2 1321 283 131 GLY C C 177.200 0.5 1 1322 283 131 GLY CA C 45.976 0.5 1 1323 283 131 GLY N N 107.374 0.5 1 1324 284 132 THR H H 7.610 0.05 1 1325 284 132 THR HA H 4.342 0.05 1 1326 284 132 THR HB H 4.512 0.05 1 1327 284 132 THR HG2 H 1.220 0.05 1 1328 284 132 THR CA C 59.700 0.5 1 1329 284 132 THR CB C 70.000 0.5 1 1330 284 132 THR CG2 C 21.900 0.5 1 1331 284 132 THR N N 110.500 0.5 1 1332 285 133 PHE H H 8.160 0.05 1 1333 285 133 PHE HA H 4.732 0.05 1 1334 285 133 PHE HB2 H 3.112 0.05 2 1335 285 133 PHE HB3 H 3.162 0.05 2 1336 285 133 PHE HD1 H 7.450 0.05 3 1337 285 133 PHE HE1 H 6.990 0.05 3 1338 285 133 PHE C C 177.600 0.5 1 1339 285 133 PHE CA C 59.700 0.5 1 1340 285 133 PHE CB C 38.800 0.5 1 1341 285 133 PHE CD1 C 132.700 0.5 3 1342 285 133 PHE CE1 C 131.400 0.5 3 1343 285 133 PHE N N 119.000 0.5 1 1344 286 134 THR H H 9.640 0.05 1 1345 286 134 THR HA H 4.832 0.05 1 1346 286 134 THR HB H 4.662 0.05 1 1347 286 134 THR HG2 H 1.370 0.05 1 1348 286 134 THR C C 175.400 0.5 1 1349 286 134 THR CA C 60.554 0.5 1 1350 286 134 THR CB C 72.600 0.5 1 1351 286 134 THR CG2 C 21.700 0.5 1 1352 286 134 THR N N 116.467 0.5 1 1353 287 135 GLU H H 8.840 0.05 1 1354 287 135 GLU HA H 4.142 0.05 1 1355 287 135 GLU HB2 H 2.122 0.05 2 1356 287 135 GLU HB3 H 2.132 0.05 2 1357 287 135 GLU HG2 H 2.360 0.05 2 1358 287 135 GLU HG3 H 2.430 0.05 2 1359 287 135 GLU C C 175.505 0.5 1 1360 287 135 GLU CA C 59.600 0.5 1 1361 287 135 GLU CB C 29.409 0.5 1 1362 287 135 GLU CG C 36.700 0.5 1 1363 287 135 GLU N N 119.107 0.5 1 1364 288 136 LYS H H 7.890 0.05 1 1365 288 136 LYS HA H 4.092 0.05 1 1366 288 136 LYS HB2 H 2.062 0.05 2 1367 288 136 LYS HB3 H 2.062 0.05 2 1368 288 136 LYS HD2 H 1.672 0.05 2 1369 288 136 LYS HD3 H 1.832 0.05 2 1370 288 136 LYS HE2 H 3.102 0.05 2 1371 288 136 LYS HE3 H 3.132 0.05 2 1372 288 136 LYS HG2 H 1.510 0.05 2 1373 288 136 LYS HG3 H 1.660 0.05 2 1374 288 136 LYS C C 179.500 0.5 1 1375 288 136 LYS CA C 59.300 0.5 1 1376 288 136 LYS CB C 32.500 0.5 1 1377 288 136 LYS CD C 28.900 0.5 1 1378 288 136 LYS CE C 42.200 0.5 1 1379 288 136 LYS CG C 25.200 0.5 1 1380 288 136 LYS N N 121.100 0.5 1 1381 289 137 ASP H H 8.880 0.05 1 1382 289 137 ASP HA H 4.592 0.05 1 1383 289 137 ASP HB2 H 2.762 0.05 2 1384 289 137 ASP HB3 H 2.542 0.05 2 1385 289 137 ASP C C 178.000 0.5 1 1386 289 137 ASP CA C 58.000 0.5 1 1387 289 137 ASP CB C 41.700 0.5 1 1388 289 137 ASP N N 120.632 0.5 1 1389 290 138 GLU H H 7.810 0.05 1 1390 290 138 GLU HA H 4.002 0.05 1 1391 290 138 GLU HB2 H 2.392 0.05 2 1392 290 138 GLU HB3 H 2.142 0.05 2 1393 290 138 GLU HG2 H 2.290 0.05 2 1394 290 138 GLU HG3 H 2.570 0.05 2 1395 290 138 GLU CA C 59.700 0.5 1 1396 290 138 GLU CB C 30.200 0.5 1 1397 290 138 GLU CG C 36.400 0.5 1 1398 290 138 GLU N N 117.009 0.5 1 1399 291 139 LYS H H 7.690 0.05 1 1400 291 139 LYS HA H 4.112 0.05 1 1401 291 139 LYS HB2 H 2.072 0.05 2 1402 291 139 LYS HB3 H 2.072 0.05 2 1403 291 139 LYS HD2 H 1.762 0.05 2 1404 291 139 LYS HD3 H 1.762 0.05 2 1405 291 139 LYS HE2 H 3.052 0.05 2 1406 291 139 LYS HE3 H 3.052 0.05 2 1407 291 139 LYS HG2 H 1.580 0.05 2 1408 291 139 LYS HG3 H 1.570 0.05 2 1409 291 139 LYS CA C 59.400 0.5 1 1410 291 139 LYS CB C 32.500 0.5 1 1411 291 139 LYS CD C 29.300 0.5 1 1412 291 139 LYS CE C 42.300 0.5 1 1413 291 139 LYS CG C 25.400 0.5 1 1414 291 139 LYS N N 119.300 0.5 1 1415 292 140 ASP H H 7.710 0.05 1 1416 292 140 ASP HA H 4.292 0.05 1 1417 292 140 ASP HB2 H 2.542 0.05 2 1418 292 140 ASP HB3 H 3.452 0.05 2 1419 292 140 ASP C C 178.300 0.5 1 1420 292 140 ASP CA C 57.886 0.5 1 1421 292 140 ASP CB C 41.118 0.5 1 1422 292 140 ASP N N 119.320 0.5 1 1423 293 141 PHE H H 8.820 0.05 1 1424 293 141 PHE HA H 4.662 0.05 1 1425 293 141 PHE HB2 H 3.482 0.05 2 1426 293 141 PHE HB3 H 3.452 0.05 2 1427 293 141 PHE HD1 H 7.230 0.05 3 1428 293 141 PHE HE1 H 7.180 0.05 3 1429 293 141 PHE CA C 58.139 0.5 1 1430 293 141 PHE CB C 39.133 0.5 1 1431 293 141 PHE CD1 C 130.600 0.5 3 1432 293 141 PHE CE1 C 130.600 0.5 3 1433 293 141 PHE N N 119.481 0.5 1 1434 294 142 ALA H H 8.150 0.05 1 1435 294 142 ALA HA H 3.962 0.05 1 1436 294 142 ALA HB H 1.632 0.05 1 1437 294 142 ALA CA C 55.222 0.5 1 1438 294 142 ALA CB C 18.700 0.5 1 1439 294 142 ALA N N 117.711 0.5 1 1440 295 143 GLU H H 8.170 0.05 1 1441 295 143 GLU HA H 4.022 0.05 1 1442 295 143 GLU HB2 H 2.092 0.05 2 1443 295 143 GLU HB3 H 2.262 0.05 2 1444 295 143 GLU HG2 H 2.040 0.05 2 1445 295 143 GLU HG3 H 2.300 0.05 2 1446 295 143 GLU C C 179.100 0.5 1 1447 295 143 GLU CA C 59.558 0.5 1 1448 295 143 GLU CB C 29.466 0.5 1 1449 295 143 GLU CG C 36.200 0.5 1 1450 295 143 GLU N N 118.515 0.5 1 1451 296 144 TYR H H 7.790 0.05 1 1452 296 144 TYR HA H 4.342 0.05 1 1453 296 144 TYR HB2 H 2.922 0.05 2 1454 296 144 TYR HB3 H 2.922 0.05 2 1455 296 144 TYR HD1 H 7.350 0.05 3 1456 296 144 TYR HE1 H 6.720 0.05 3 1457 296 144 TYR C C 179.000 0.5 1 1458 296 144 TYR CA C 62.200 0.5 1 1459 296 144 TYR CB C 39.100 0.5 1 1460 296 144 TYR CD1 C 132.700 0.5 3 1461 296 144 TYR CE1 C 118.700 0.5 3 1462 296 144 TYR N N 116.114 0.5 1 1463 297 145 LEU H H 8.550 0.05 1 1464 297 145 LEU HA H 4.142 0.05 1 1465 297 145 LEU HB2 H 1.282 0.05 2 1466 297 145 LEU HB3 H 1.772 0.05 2 1467 297 145 LEU HD1 H -0.028 0.05 2 1468 297 145 LEU HD2 H 0.532 0.05 2 1469 297 145 LEU HG H 1.570 0.05 1 1470 297 145 LEU C C 179.500 0.5 1 1471 297 145 LEU CA C 57.200 0.5 1 1472 297 145 LEU CB C 40.861 0.5 1 1473 297 145 LEU CD1 C 26.200 0.5 1 1474 297 145 LEU CD2 C 22.000 0.5 1 1475 297 145 LEU CG C 26.400 0.5 1 1476 297 145 LEU N N 119.641 0.5 1 1477 298 146 ALA H H 7.770 0.05 1 1478 298 146 ALA HA H 4.282 0.05 1 1479 298 146 ALA HB H 1.522 0.05 1 1480 298 146 ALA C C 180.800 0.5 1 1481 298 146 ALA CA C 54.900 0.5 1 1482 298 146 ALA CB C 17.900 0.5 1 1483 298 146 ALA N N 122.160 0.5 1 1484 299 147 PHE H H 7.350 0.05 1 1485 299 147 PHE HA H 4.502 0.05 1 1486 299 147 PHE HB2 H 3.032 0.05 2 1487 299 147 PHE HB3 H 3.192 0.05 2 1488 299 147 PHE HD1 H 7.132 0.05 3 1489 299 147 PHE HE1 H 6.802 0.05 3 1490 299 147 PHE CA C 59.100 0.5 1 1491 299 147 PHE CB C 38.512 0.5 1 1492 299 147 PHE N N 117.309 0.5 1 1493 300 148 CYS H H 7.910 0.05 1 1494 300 148 CYS HA H 3.912 0.05 1 1495 300 148 CYS HB2 H 2.842 0.05 2 1496 300 148 CYS HB3 H 3.142 0.05 2 1497 300 148 CYS CA C 62.800 0.5 1 1498 300 148 CYS CB C 26.800 0.5 1 1499 300 148 CYS N N 116.500 0.5 1 1500 301 149 GLY H H 8.330 0.05 1 1501 301 149 GLY HA2 H 3.532 0.05 2 1502 301 149 GLY HA3 H 4.052 0.05 2 1503 301 149 GLY C C 175.300 0.5 1 1504 301 149 GLY CA C 47.625 0.5 1 1505 301 149 GLY N N 105.740 0.5 1 1506 302 150 GLU H H 7.670 0.05 1 1507 302 150 GLU HA H 4.302 0.05 1 1508 302 150 GLU HB2 H 2.162 0.05 2 1509 302 150 GLU HB3 H 2.162 0.05 2 1510 302 150 GLU HG2 H 2.340 0.05 2 1511 302 150 GLU HG3 H 2.390 0.05 2 1512 302 150 GLU CA C 58.700 0.5 1 1513 302 150 GLU CB C 29.600 0.5 1 1514 302 150 GLU CG C 35.900 0.5 1 1515 302 150 GLU N N 119.300 0.5 1 1516 304 152 LEU CA C 53.800 0.5 1 1517 304 152 LEU CB C 42.400 0.5 1 1518 304 152 LEU CD1 C 23.100 0.5 1 1519 304 152 LEU CD2 C 23.100 0.5 1 1520 304 152 LEU CG C 24.700 0.5 1 1521 305 153 HIS H H 8.090 0.05 1 1522 305 153 HIS HA H 4.572 0.05 1 1523 305 153 HIS HB2 H 2.992 0.05 2 1524 305 153 HIS HB3 H 3.032 0.05 2 1525 305 153 HIS HD2 H 6.932 0.05 3 1526 305 153 HIS HE1 H 7.852 0.05 3 1527 305 153 HIS CA C 56.300 0.5 1 1528 305 153 HIS CB C 31.000 0.5 1 1529 305 153 HIS N N 120.900 0.5 1 1530 307 155 ALA HA H 4.272 0.05 1 1531 307 155 ALA HB H 1.532 0.05 1 1532 307 155 ALA C C 178.700 0.5 1 1533 307 155 ALA CA C 54.402 0.5 1 1534 307 155 ALA CB C 19.300 0.5 1 1535 308 156 GLN H H 7.990 0.05 1 1536 308 156 GLN HA H 4.252 0.05 1 1537 308 156 GLN HB2 H 2.162 0.05 2 1538 308 156 GLN HB3 H 2.162 0.05 2 1539 308 156 GLN HG2 H 2.480 0.05 2 1540 308 156 GLN HG3 H 2.380 0.05 2 1541 308 156 GLN CA C 57.651 0.5 1 1542 308 156 GLN CB C 28.700 0.5 1 1543 308 156 GLN CG C 34.000 0.5 1 1544 308 156 GLN N N 117.384 0.5 1 1545 309 157 LEU H H 7.880 0.05 1 1546 309 157 LEU HA H 4.182 0.05 1 1547 309 157 LEU CA C 55.000 0.5 1 1548 309 157 LEU CB C 42.100 0.5 1 1549 309 157 LEU CD1 C 26.300 0.5 1 1550 309 157 LEU CD2 C 23.900 0.5 1 1551 309 157 LEU CG C 27.200 0.5 1 1552 309 157 LEU N N 120.125 0.5 1 1553 310 158 TYR CA C 54.200 0.5 1 1554 310 158 TYR CB C 38.200 0.5 1 1555 311 159 GLU C C 177.800 0.5 1 1556 311 159 GLU CA C 57.800 0.5 1 1557 311 159 GLU CB C 30.100 0.5 1 1558 311 159 GLU N N 117.600 0.5 1 1559 312 160 THR H H 8.140 0.05 1 1560 312 160 THR HA H 4.244 0.05 1 1561 312 160 THR HB H 4.312 0.05 1 1562 312 160 THR HG2 H 1.270 0.05 1 1563 312 160 THR CA C 63.874 0.5 1 1564 312 160 THR CB C 69.500 0.5 1 1565 312 160 THR CG2 C 21.900 0.5 1 1566 312 160 THR N N 113.933 0.5 1 1567 313 161 SER H H 8.150 0.05 1 1568 313 161 SER HA H 4.282 0.05 1 1569 313 161 SER HB2 H 3.952 0.05 2 1570 313 161 SER HB3 H 4.432 0.05 2 1571 313 161 SER HG H 3.960 0.05 1 1572 313 161 SER C C 175.200 0.5 1 1573 313 161 SER CA C 59.947 0.5 1 1574 313 161 SER CB C 63.500 0.5 1 1575 313 161 SER N N 117.711 0.5 1 1576 314 162 LEU H H 7.890 0.05 1 1577 314 162 LEU HA H 4.262 0.05 1 1578 314 162 LEU CA C 56.332 0.5 1 1579 314 162 LEU CB C 41.698 0.5 1 1580 314 162 LEU CD1 C 25.200 0.5 1 1581 314 162 LEU CD2 C 23.600 0.5 1 1582 314 162 LEU CG C 27.000 0.5 1 1583 314 162 LEU N N 122.666 0.5 1 1584 315 163 LEU H H 7.820 0.05 1 1585 315 163 LEU HA H 4.262 0.05 1 1586 315 163 LEU HD1 H 0.922 0.05 2 1587 315 163 LEU HD2 H 0.852 0.05 2 1588 315 163 LEU CA C 55.964 0.5 1 1589 315 163 LEU CB C 41.851 0.5 1 1590 315 163 LEU CD1 C 25.300 0.5 1 1591 315 163 LEU CD2 C 23.800 0.5 1 1592 315 163 LEU CG C 26.900 0.5 1 1593 315 163 LEU N N 120.047 0.5 1 1594 316 164 GLU H H 8.080 0.05 1 1595 316 164 GLU CA C 57.169 0.5 1 1596 316 164 GLU CB C 30.097 0.5 1 1597 316 164 GLU N N 119.575 0.5 1 stop_ save_